| SpectraBase Compound ID | 88cbUX129l4 |
|---|---|
| InChI | InChI=1S/C7H9BrO4/c1-5(9)12-6(4-8)3-7(10)11-2/h3H,4H2,1-2H3/b6-3+ |
| InChIKey | XWZOSTVSZQIUNK-ZZXKWVIFSA-N |
| Mol Weight | 237.05 g/mol |
| Molecular Formula | C7H9BrO4 |
| Exact Mass | 235.968422 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1ehrg5hL0Q0 |
|---|---|
| Name | 3-ACETOXY-4-BROMO-BUT-2-ENOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H9O4Br |
| InChI | InChI=1S/C7H9BrO4/c1-5(9)12-6(4-8)3-7(10)11-2/h3H,4H2,1-2H3/b6-3+ |
| InChIKey | XWZOSTVSZQIUNK-ZZXKWVIFSA-N |
| Molecular Weight | 235.9681 |
| SMILES | CC(O\C(=C\C(OC)=O)CBr)=O |
| SPLASH | splash10-0006-9600000000-cb63c29fa92374d9a77f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |