| SpectraBase Compound ID | 3MDXfpc8YVM |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3 |
| InChIKey | FGOQWQMPNSYDBL-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LIPD1A580Aj |
|---|---|
| Name | Methyl-3-hydroxymethylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.062994179 u |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3 |
| InChIKey | FGOQWQMPNSYDBL-UHFFFAOYSA-N |
| SMILES | C(O)C1=CC(C(=O)OC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83501 |