| SpectraBase Compound ID | 3jbxzGlEgwC |
|---|---|
| InChI | InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23(24)22(3)20-5-2/h5,22H,2,4,6-21H2,1,3H3 |
| InChIKey | BQNQFBBQCNZZGY-UHFFFAOYSA-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 | 2KncKH6CWUL |
|---|---|
| Name | 4-Pentenoic acid, 2-methyl-, heptadecyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23(24)22(3)20-5-2/h5,22H,2,4,6-21H2,1,3H3 |
| InChIKey | BQNQFBBQCNZZGY-UHFFFAOYSA-N |
| Molecular Weight | 352.603 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCCCCCCC)=O)C)C=C |