| SpectraBase Compound ID | 8FVyHDXsSLq |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-5,11H,6H2,1-2H3 |
| InChIKey | DQEZWNXDNYVFND-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3gxT41pUA2t |
|---|---|
| Name | Methyl 4-hydroxymethyl-3-methoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-5,11H,6H2,1-2H3 |
| InChIKey | DQEZWNXDNYVFND-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C(C=1C=C(C(=CC1)CO)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958978 |