| SpectraBase Compound ID | HrPzt9XQHfY |
|---|---|
| InChI | InChI=1S/C8H8O4/c1-11-8(10)12-7-4-2-3-6(9)5-7/h2-5,9H,1H3 |
| InChIKey | HULBKMNGMWRURH-UHFFFAOYSA-N |
| Mol Weight | 168.15 g/mol |
| Molecular Formula | C8H8O4 |
| Exact Mass | 168.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2y1z6pPnNYk |
|---|---|
| Name | 1,3-Benzenediol, o-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.042258734 u |
| Formula | C8H8O4 |
| InChI | InChI=1S/C8H8O4/c1-11-8(10)12-7-4-2-3-6(9)5-7/h2-5,9H,1H3 |
| InChIKey | HULBKMNGMWRURH-UHFFFAOYSA-N |
| Molecular Weight | 168.148 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949578 |