| SpectraBase Compound ID | I4B55rPsR8P |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | CZNGTXVOZOWWKM-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 | 5Z2F78eV1c0 |
|---|---|
| Name | Methyl 4-bromo benzoate |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 213.962942463 u |
| Formula | C8H7BrO2 |
| InChI | InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | CZNGTXVOZOWWKM-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 215.046 g/mol |
| Nominal Mass | 214 u |
| Quality | 923 |
| Retention Index | 1377 |
| SMILES | C=1(C(OC)=O)C=CC(=CC1)Br |
| SPLASH | splash10-07f9-3930000000-82fc4e759cbc991b0024 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | methyl 4-bromobenzoate |
| Technique | GC/MS |
| Wiley ID | DD2024_025445 |