| SpectraBase Compound ID | 5cAtGqTy2DC |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-2-3-4-10-15-19-17(18)14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3 |
| InChIKey | MDGSXKNIPGHYHH-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H5xJt0VRHxK |
|---|---|
| Name | 5-Phenylvaleric acid, hexyl 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/c1-2-3-4-10-15-19-17(18)14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3 |
| InChIKey | MDGSXKNIPGHYHH-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(CCC(OCCCCCC)=O)CC=1C=CC=CC1 |