| SpectraBase Compound ID | AP6NstHF3A7 |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3,(H,12,13) |
| InChIKey | XGAYQDWZIPRBPF-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Huj6AwwFJpU |
|---|---|
| Name | 2-Hydroxy-3-propan-2-ylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3,(H,12,13) |
| InChIKey | XGAYQDWZIPRBPF-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C=1(O)C(=CC=CC1C(O)=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.746535 |