| SpectraBase Compound ID | 750AlVHoZAu |
|---|---|
| InChI | InChI=1S/C8H8O4.H2O/c1-12-6-4-2-3-5(7(6)9)8(10)11;/h2-4,9H,1H3,(H,10,11);1H2 |
| InChIKey | DYQLCLPTIUGKHO-UHFFFAOYSA-N |
| Mol Weight | 186.163 g/mol |
| Molecular Formula | C8H10O5 |
| Exact Mass | 186.052823 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KtD9D5paW3 |
|---|---|
| Name | 2-Hydroxy-m-anisic acid, hydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.052823417 u |
| Formula | C8H10O5 |
| InChI | InChI=1S/C8H8O4.H2O/c1-12-6-4-2-3-5(7(6)9)8(10)11;/h2-4,9H,1H3,(H,10,11);1H2 |
| InChIKey | DYQLCLPTIUGKHO-UHFFFAOYSA-N |
| SMILES | O.OC(C=1C(=C(C=CC1)OC)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.880186 |