| SpectraBase Compound ID | HFsB35Ieuqv |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5,10H,1-2H3 |
| InChIKey | KCWJRQPHPPKPBK-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2UG93xvYQyB |
|---|---|
| Name | Salicylic acid-m (ho-) 2me @P350 |
| 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/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5,10H,1-2H3 |
| InChIKey | KCWJRQPHPPKPBK-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C1=CC(=CC(OC)=C1C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970949 |