| SpectraBase Compound ID | FHby7cSisdt |
|---|---|
| InChI | InChI=1S/C9H8O3/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | JFSJOQODVWQCGJ-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AA9CDnK3TYm |
|---|---|
| Name | 2-Methylphenylglyoxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | JFSJOQODVWQCGJ-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C(C1=C(C)C=CC=C1)(C(=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957277 |