| SpectraBase Compound ID | CEBegyU4tFL |
|---|---|
| InChI | InChI=1S/C23H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-8-6-4-2/h17,19H,3-16,18,20-22H2,1-2H3/b19-17+ |
| InChIKey | CCIMOGRZLCCVTN-HTXNQAPBSA-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 | Au1YubqtiqN |
|---|---|
| Name | 3-Octenoic acid, pentadecyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-8-6-4-2/h17,19H,3-16,18,20-22H2,1-2H3/b19-17+ |
| InChIKey | CCIMOGRZLCCVTN-HTXNQAPBSA-N |
| Molecular Weight | 352.603 g/mol |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCCCCCCCCC)=O |