| SpectraBase Compound ID | IweXB2BSX7X |
|---|---|
| InChI | InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
| InChIKey | HXUIDZOMTRMIOE-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCqaYQzeiR7 |
|---|---|
| Name | 3-oxo-3-Phenylpropanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
| InChIKey | HXUIDZOMTRMIOE-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C(CC(C=1C=CC=CC1)=O)(=O)O |