| SpectraBase Compound ID | 8iAYQ78aciC |
|---|---|
| InChI | InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h5-6,10-12,14-15H,2-4,7-9,13,16-17H2,1H3/b6-5- |
| InChIKey | VDQSESWRODTNKI-WAYWQWQTSA-N |
| Mol Weight | 288.43 g/mol |
| Molecular Formula | C19H28O2 |
| Exact Mass | 288.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZxCoWAIG0g |
|---|---|
| Name | 7-Dodecenoic acid, phenylmethyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.208930140 u |
| Formula | C19H28O2 |
| InChI | InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h5-6,10-12,14-15H,2-4,7-9,13,16-17H2,1H3/b6-5- |
| InChIKey | VDQSESWRODTNKI-WAYWQWQTSA-N |
| SMILES | C(=O)(OCC=1C=CC=CC1)CCCCC\C=C/CCCC |