| SpectraBase Compound ID | 7TVL29Ev6XZ |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12) |
| InChIKey | QIBMVRYNEXOCCF-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3rQ4rOSmL7O |
|---|---|
| Name | 3,5-Dimethoxy-4-methylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12) |
| InChIKey | QIBMVRYNEXOCCF-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C1=C(C(=C(C=C1C(O)=O)OC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817781 |