| SpectraBase Compound ID | 7AZ8DZAeGid |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | BSYNRYMUTXBXSQ-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 | 7flpu7pXfum |
|---|---|
| Name | BENZOIC ACID, 2-(ACETYLOXY)- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Weight | 180.0420 |
| SMILES | OC(=O)c1c(OC(=O)C)cccc1 |
| SPLASH | splash10-00dl-9600000000-3781898c00ac5f528b4a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |