| SpectraBase Compound ID | ERTN5rzuvR6 |
|---|---|
| InChI | InChI=1S/C9H8O5/c1-13-9(12)14-7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | FOQJFNDGCQAUCE-UHFFFAOYSA-N |
| Mol Weight | 196.16 g/mol |
| Molecular Formula | C9H8O5 |
| Exact Mass | 196.037173 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOcbNUAMHN6 |
|---|---|
| Name | 4-Hydroxybenzoic acid, o-methoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.037173353 u |
| Formula | C9H8O5 |
| InChI | InChI=1S/C9H8O5/c1-13-9(12)14-7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | FOQJFNDGCQAUCE-UHFFFAOYSA-N |
| Molecular Weight | 196.158 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)O)OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976964 |