![7-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-hept-5-enoic acid methyl ester](/api/spectrum/5Vz8FKITB7z/structure.png?h=300&w=458 "7-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-hept-5-enoic acid methyl ester")
| SpectraBase Compound ID | 649t4izuvH1 |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-13(2)16-10-11(17-13)8-6-4-5-7-9-12(14)15-3/h4,6,11H,5,7-10H2,1-3H3/b6-4- |
| InChIKey | WITYSWIZMKXFST-XQRVVYSFSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Vz8FKITB7z |
|---|---|
| Name | 7-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-hept-5-enoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-13(2)16-10-11(17-13)8-6-4-5-7-9-12(14)15-3/h4,6,11H,5,7-10H2,1-3H3/b6-4- |
| InChIKey | WITYSWIZMKXFST-XQRVVYSFSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | COC(CCC\C=C/CC1OC(OC1)(C)C)=O |