| SpectraBase Compound ID | Ao4dDnD9iO8 |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-23-21(22)19-17-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3/b19-17+ |
| InChIKey | AMPRVZKSBYRTAV-HTXNQAPBSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3w5IEKnQeGT |
|---|---|
| Name | 2-Heptenoic acid, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-23-21(22)19-17-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3/b19-17+ |
| InChIKey | AMPRVZKSBYRTAV-HTXNQAPBSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCCCC)=O)CCC |