| SpectraBase Compound ID | ERDmpMksM6b |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-11-16-20-18(19)15-10-9-14-17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3 |
| InChIKey | OSNYCQLSEGDSMO-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBt7E0d5neS |
|---|---|
| Name | 5-Phenylvaleric acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-11-16-20-18(19)15-10-9-14-17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3 |
| InChIKey | OSNYCQLSEGDSMO-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(CCC(OCCCCCCC)=O)CC=1C=CC=CC1 |