| SpectraBase Compound ID | 3LvuqYJdrtr |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-2-3-9-14-18-16(17)13-8-7-12-15-10-5-4-6-11-15/h4-6,10-11H,2-3,7-9,12-14H2,1H3 |
| InChIKey | PFGACVOYKHVCPJ-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNokEkxyiDk |
|---|---|
| Name | 5-Phenylvaleric acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-2-3-9-14-18-16(17)13-8-7-12-15-10-5-4-6-11-15/h4-6,10-11H,2-3,7-9,12-14H2,1H3 |
| InChIKey | PFGACVOYKHVCPJ-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(CCC(OCCCCC)=O)CC=1C=CC=CC1 |