| SpectraBase Compound ID | 7XSZtRB1MQ0 |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27(28)26-22-20-25(19-4-2)21-23-26/h20-23H,3-19,24H2,1-2H3 |
| InChIKey | WEZMNDKWQCKIDU-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PRC4am3orL |
|---|---|
| Name | Benzoic acid, 4-propyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27(28)26-22-20-25(19-4-2)21-23-26/h20-23H,3-19,24H2,1-2H3 |
| InChIKey | WEZMNDKWQCKIDU-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |