| SpectraBase Compound ID | ENSAxqX5Wj5 |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) |
| InChIKey | VWXVTHDQAOAENP-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQyU9YKVwGT |
|---|---|
| Name | 3-(3-Methylphenyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) |
| InChIKey | VWXVTHDQAOAENP-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(=CC(=CC=C1)C)CCC(=O)O |