| SpectraBase Compound ID | BeAfryuz6oS |
|---|---|
| InChI | InChI=1S/C8H6O3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-6H |
| InChIKey | GNNILMDCYQGMRH-UHFFFAOYSA-N |
| Mol Weight | 150.13 g/mol |
| Molecular Formula | C8H6O3 |
| Exact Mass | 150.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H6fff9mdnhM |
|---|---|
| Name | Methanol, oxo-, benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.031694050 u |
| Formula | C8H6O3 |
| InChI | InChI=1S/C8H6O3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-6H |
| InChIKey | GNNILMDCYQGMRH-UHFFFAOYSA-N |
| Molecular Weight | 150.133 g/mol |
| SMILES | C1=CC(=CC=C1)C(=O)OC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976117 |