| SpectraBase Compound ID | IOs3zEf4e2D |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | FTPAHNNMUYOHOB-UHFFFAOYSA-N |
| Mol Weight | 215.05 g/mol |
| Molecular Formula | C8H7BrO2 |
| Exact Mass | 213.962942 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J9uH4a3GOhU |
|---|---|
| Name | 3-BROMOMETHYLBENZOIC ACID |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H7O2Br |
| InChI | InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | FTPAHNNMUYOHOB-UHFFFAOYSA-N |
| Molecular Weight | 213.9627 |
| SMILES | OC(=O)c1cccc(c1)CBr |
| SPLASH | splash10-000i-4910000000-6f844892fe48d77fd259 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |