| SpectraBase Compound ID | HqXzokVJJHo |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-5-2-3-6-8(13-4-12-6)7(5)9(10)11/h2-3H,4H2,1H3,(H,10,11) |
| InChIKey | WZYAARLFRJVVKQ-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AFA19SEvRAY |
|---|---|
| Name | 5-Methyl-1,3-benzodioxole-4-carboxylic acid |
| CAS Registry Number | 75267-26-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-5-2-3-6-8(13-4-12-6)7(5)9(10)11/h2-3H,4H2,1H3,(H,10,11) |
| InChIKey | WZYAARLFRJVVKQ-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | OC(c1c2c(OCO2)ccc1C)=O |
| SPLASH | splash10-0f89-0900000000-6eb5161f283e54015f56 |
| Source of Spectrum | J-45-5072-0 |
| Wiley ID | 1175938 |