| SpectraBase Compound ID | G1syG185mzu |
|---|---|
| InChI | InChI=1S/C8H8O5/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,9-11H,1H3 |
| InChIKey | ROYOIQWEQVTRBT-UHFFFAOYSA-N |
| Mol Weight | 184.15 g/mol |
| Molecular Formula | C8H8O5 |
| Exact Mass | 184.037173 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | nBXXplQxiQ |
|---|---|
| Name | Benzoic acid, 2,3,4-trihydroxy-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.037173353 u |
| Formula | C8H8O5 |
| InChI | InChI=1S/C8H8O5/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,9-11H,1H3 |
| InChIKey | ROYOIQWEQVTRBT-UHFFFAOYSA-N |
| Molecular Weight | 184.147 g/mol |
| SMILES | C1(=C(O)C=CC(=C1O)C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89609 |