| SpectraBase Compound ID | 4f9pKQkq3ZP |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,10H,2H2,1H3,(H,11,12) |
| InChIKey | DVZPQHRWOUXUPU-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AHAJvGmXfpn |
|---|---|
| Name | 4-Ethoxysalicylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,10H,2H2,1H3,(H,11,12) |
| InChIKey | DVZPQHRWOUXUPU-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | OC(C=1C(=CC(=CC1)OCC)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.750831 |