| SpectraBase Compound ID | 2oUVSFOAljR |
|---|---|
| InChI | InChI=1S/C7H8O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,5-6,8-9H,(H,10,11) |
| InChIKey | HEZMWWAKWCSUCB-UHFFFAOYSA-N |
| Mol Weight | 156.14 g/mol |
| Molecular Formula | C7H8O4 |
| Exact Mass | 156.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bgnNjVGeOp |
|---|---|
| Name | 1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dihydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.042258734 u |
| Formula | C7H8O4 |
| InChI | InChI=1S/C7H8O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,5-6,8-9H,(H,10,11) |
| InChIKey | HEZMWWAKWCSUCB-UHFFFAOYSA-N |
| Molecular Weight | 156.137 g/mol |
| SMILES | C(O)(=O)C1=CC(O)C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822893 |