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Consider the 1H NMR spectrum and molecular formula shown below. Draw the structure of the compound represented in the 1H NMR of x the compound. Once drawn, click the disk icon, export the structure as a SMILES string, and copy/paste the string into the answer box. Please note that the numbers near the tops of the peaks are the integration of the peak. If there is a letter near the peak, that is an indication of the splitting of the peak. 12 11 HSP-03-217 10 9 8 4 7 Cg HgO 6 5 ppm 4 3 3 2 1 0 -1

Consider the 1H NMR spectrum and molecular formula shown below. Draw the structure of the compound represented in the 1H NMR of x the compound. Once drawn, click the disk icon, export the structure as a SMILES string, and copy/paste the string into the answer box. Please note that the numbers near the tops of the peaks are the integration of the peak. If there is a letter near the peak, that is an indication of the splitting of the peak. 12 11 HSP-03-217 10 9 8 4 7 Cg HgO 6 5 ppm 4 3 3 2 1 0 -1

Chemistry
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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Provide the structure or SMILES of the compound with molecular formula C8H8O and correlates with the NMR shown in the image

The given image outlines instructions related to interpreting a 1H NMR (Proton Nuclear Magnetic Resonance) spectrum alongside its corresponding molecular formula, C₈H₈O. The task is to draw the compound's structure based on this spectrum. Users must export the structure as a SMILES string after completing the drawing and paste it into the provided answer box. ### Key Points from the Image: - **1H NMR Spectrum:** The spectrum includes peaks at different chemical shifts (in ppm), indicating the hydrogen environment within the molecule. - **Peaks and Integrations:** - **Peak 1:** Location at approximately 10 ppm. - **Peak 4:** Appears around 7.5 ppm with a large splitting pattern. - **Peak 3:** Dominant peak around 2.2 ppm. - **Molecular Formula:** C₈H₈O, indicating the presence of 8 carbons, 8 hydrogens, and 1 oxygen. ### Interpretation of the Graph: - **Chemical Shifts:** Peaks indicate how shielded or deshielded hydrogen atoms are, influenced by neighboring atoms. - **Integration:** Numbers near the peaks show the relative number of protons for each signal. - **Splitting:** Highlighted by a letter (which is missing or not visible here), showing the number of neighboring protons. ### Instructions to the User: 1. Analyze the NMR spectrum thoroughly. 2. Draw the structural formula of the compound considering peak integration and splitting. 3. Export the drawing as a SMILES string using the designated tool. 4. Copy and paste the SMILES string to complete the task. This tutorial is tailored for students and researchers to practice and interpret NMR spectroscopy data for organic compounds, enhancing their understanding of structural elucidation.
Transcribed Image Text:The given image outlines instructions related to interpreting a 1H NMR (Proton Nuclear Magnetic Resonance) spectrum alongside its corresponding molecular formula, C₈H₈O. The task is to draw the compound's structure based on this spectrum. Users must export the structure as a SMILES string after completing the drawing and paste it into the provided answer box. ### Key Points from the Image: - **1H NMR Spectrum:** The spectrum includes peaks at different chemical shifts (in ppm), indicating the hydrogen environment within the molecule. - **Peaks and Integrations:** - **Peak 1:** Location at approximately 10 ppm. - **Peak 4:** Appears around 7.5 ppm with a large splitting pattern. - **Peak 3:** Dominant peak around 2.2 ppm. - **Molecular Formula:** C₈H₈O, indicating the presence of 8 carbons, 8 hydrogens, and 1 oxygen. ### Interpretation of the Graph: - **Chemical Shifts:** Peaks indicate how shielded or deshielded hydrogen atoms are, influenced by neighboring atoms. - **Integration:** Numbers near the peaks show the relative number of protons for each signal. - **Splitting:** Highlighted by a letter (which is missing or not visible here), showing the number of neighboring protons. ### Instructions to the User: 1. Analyze the NMR spectrum thoroughly. 2. Draw the structural formula of the compound considering peak integration and splitting. 3. Export the drawing as a SMILES string using the designated tool. 4. Copy and paste the SMILES string to complete the task. This tutorial is tailored for students and researchers to practice and interpret NMR spectroscopy data for organic compounds, enhancing their understanding of structural elucidation.
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