| SpectraBase Compound ID | 7JW2GrCTuAm |
|---|---|
| InChI | InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23(24)25-22-20-18-8-6-4-2/h11-12H,3-10,13-22H2,1-2H3/b12-11- |
| InChIKey | CTVPIRVYDMQPJY-QXMHVHEDSA-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 | HuH8Kc6Gm9w |
|---|---|
| Name | cis-9-Hexadecenoic acid, heptyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23(24)25-22-20-18-8-6-4-2/h11-12H,3-10,13-22H2,1-2H3/b12-11- |
| InChIKey | CTVPIRVYDMQPJY-QXMHVHEDSA-N |
| Molecular Weight | 352.603 g/mol |
| SMILES | C(CCC(OCCCCCCC)=O)CCCC\C=C/CCCCCC |