| SpectraBase Compound ID | LYs1EhkbxGK |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-16-21-25-23(24)20-15-14-19-22-17-12-11-13-18-22/h11-13,17-18H,2-10,14-16,19-21H2,1H3 |
| InChIKey | NRHRKMCJNMJMMM-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvlWYR4HjHT |
|---|---|
| Name | 5-Phenylvaleric acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-16-21-25-23(24)20-15-14-19-22-17-12-11-13-18-22/h11-13,17-18H,2-10,14-16,19-21H2,1H3 |
| InChIKey | NRHRKMCJNMJMMM-UHFFFAOYSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCC)=O)CC=1C=CC=CC1 |