| SpectraBase Compound ID | FUINlWE3TOO |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-14(2)13-15(3)19-17(18)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3 |
| InChIKey | DVBANFVLFAZSGD-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FH2MB9MRYif |
|---|---|
| Name | 5-Phenylvaleric acid, 4-methyl-2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-14(2)13-15(3)19-17(18)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3 |
| InChIKey | DVBANFVLFAZSGD-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(CCC(OC(CC(C)C)C)=O)CC=1C=CC=CC1 |