| SpectraBase Compound ID | 1g61yn4FFJL |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-29-27(28)24-19-18-23-26-21-16-15-17-22-26/h15-17,21-22H,2-14,18-20,23-25H2,1H3 |
| InChIKey | LJROKOFJSTZXQD-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 | EtLgitwABD5 |
|---|---|
| Name | 5-Phenylvaleric acid, hexadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-29-27(28)24-19-18-23-26-21-16-15-17-22-26/h15-17,21-22H,2-14,18-20,23-25H2,1H3 |
| InChIKey | LJROKOFJSTZXQD-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCCCCCC)=O)CC=1C=CC=CC1 |