| SpectraBase Compound ID | H334LgL9jWj |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22(23)24-21-19-17-8-6-4-2/h9-10H,3-8,11-21H2,1-2H3/b10-9- |
| InChIKey | GPQBOWREGVXXQS-KTKRTIGZSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C22H42O2 |
| Exact Mass | 338.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Pqb5kaxilX |
|---|---|
| Name | cis-10-Pentadecenoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.318480590 u |
| Formula | C22H42O2 |
| InChI | InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22(23)24-21-19-17-8-6-4-2/h9-10H,3-8,11-21H2,1-2H3/b10-9- |
| InChIKey | GPQBOWREGVXXQS-KTKRTIGZSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | C(CCC(OCCCCCCC)=O)CCCCC\C=C/CCCC |