| SpectraBase Compound ID | GvTPQzgQp85 |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 |
| InChIKey | WDHICFSUJDFSIU-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9E5pKVr5he8 |
|---|---|
| Name | 3-Phenylpropionic acid, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 |
| InChIKey | WDHICFSUJDFSIU-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)OCCC(C)C |