| SpectraBase Compound ID | 59MTiMC4vph |
|---|---|
| InChI | InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h19,21H,3-18,20,22H2,1-2H3/b21-19+ |
| InChIKey | ZGECTZNHMQNLSP-XUTLUUPISA-N |
| Mol Weight | 352.6 g/mol |
| Molecular Formula | C23H44O2 |
| Exact Mass | 352.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5RXmfnVo2X |
|---|---|
| Name | 2-Heptenoic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.334130655 u |
| Formula | C23H44O2 |
| InChI | InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h19,21H,3-18,20,22H2,1-2H3/b21-19+ |
| InChIKey | ZGECTZNHMQNLSP-XUTLUUPISA-N |
| Molecular Weight | 352.603 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCCCCCC)=O)CCC |