| SpectraBase Compound ID | BjxjADQMJe6 |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12) |
| InChIKey | OTTPBKINJOYJGW-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KutUuNeIa98 |
|---|---|
| Name | 3,4-Dimethylbenzenacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12) |
| InChIKey | OTTPBKINJOYJGW-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C(C(=O)O)C1=CC(=C(C)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971649 |