| SpectraBase Compound ID | 9afCqzkCPsM |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-2-3-4-8-13-19-16(18)12-11-15(17)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey | IAEQYGYQJWEOJJ-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 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 | KyIzWwKVJ4l |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-2-3-4-8-13-19-16(18)12-11-15(17)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey | IAEQYGYQJWEOJJ-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(C(OCCCCCC)=O)CC(C=1C=CC=CC1)=O |