| SpectraBase Compound ID | COzl7uAI1vC |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-25(27)21-20-24(26)23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3 |
| InChIKey | RXWGJIYFTATTRN-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7dme6Jz7XV8 |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.297745145 u |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-25(27)21-20-24(26)23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3 |
| InChIKey | RXWGJIYFTATTRN-UHFFFAOYSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | C(C(OCCCCCCCCCCCCCCC)=O)CC(C=1C=CC=CC1)=O |