| SpectraBase Compound ID | 6zMaQsVsjFh |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-7-4-5-9(8(2)6-7)11-10(12)13-3/h4-6H,1-3H3,(H,11,12) |
| InChIKey | QFBGSLGVRBGONE-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LH0zWAwUztP |
|---|---|
| Name | 2,4-Dimethylcarbanilic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-7-4-5-9(8(2)6-7)11-10(12)13-3/h4-6H,1-3H3,(H,11,12) |
| InChIKey | QFBGSLGVRBGONE-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1C)C)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976851 |