| SpectraBase Compound ID | BsuQFbttP6U |
|---|---|
| InChI | InChI=1S/C24H40O2/c1-3-5-6-7-8-9-10-11-12-16-20-23(17-4-2)26-24(25)21-22-18-14-13-15-19-22/h13-15,18-19,23H,3-12,16-17,20-21H2,1-2H3 |
| InChIKey | DGVBUOFIDACGMH-UHFFFAOYSA-N |
| Mol Weight | 360.6 g/mol |
| Molecular Formula | C24H40O2 |
| Exact Mass | 360.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4Yawm7l4Zx |
|---|---|
| Name | Phenylacetic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.302830526 u |
| Formula | C24H40O2 |
| InChI | InChI=1S/C24H40O2/c1-3-5-6-7-8-9-10-11-12-16-20-23(17-4-2)26-24(25)21-22-18-14-13-15-19-22/h13-15,18-19,23H,3-12,16-17,20-21H2,1-2H3 |
| InChIKey | DGVBUOFIDACGMH-UHFFFAOYSA-N |
| Molecular Weight | 360.582 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)CC1=CC=CC=C1 |