| SpectraBase Compound ID | IHRaYfhs11w |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14) |
| InChIKey | RYRZSXJVEILFRR-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K7TF9J1c8vz |
|---|---|
| Name | 2,3-Dimethylterephthalic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14) |
| InChIKey | RYRZSXJVEILFRR-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | OC(C=1C(=C(C(C(=O)O)=CC1)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.993138 |