| SpectraBase Compound ID | DKdSzl11N4M |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3 |
| InChIKey | BJTGBIYGPRGWIU-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYgtdQzz6Xy |
|---|---|
| Name | 4-Phenylbutyric acid propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3 |
| InChIKey | BJTGBIYGPRGWIU-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1=CC(=CC=C1)CCCC(=O)OCCC |