| SpectraBase Compound ID | 9PRzxeAQzlD |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | GGFNXKFGVQQNRV-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqEfV8KZKIq |
|---|---|
| Name | 4-Phenylbutyric acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | GGFNXKFGVQQNRV-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C=1C(CCCC(=O)OCC)=CC=CC1 |