| SpectraBase Compound ID | INqpYEJhc6H |
|---|---|
| InChI | InChI=1S/C6H9BrO2/c1-5(4-7)3-6(8)9-2/h3H,4H2,1-2H3/b5-3- |
| InChIKey | BBMCPEOFGAIHQK-HYXAFXHYSA-N |
| Mol Weight | 193.04 g/mol |
| Molecular Formula | C6H9BrO2 |
| Exact Mass | 191.978593 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BBYrcC1mSDE |
|---|---|
| Name | 2-BUTENOIC ACID, 4-BROMO-3-METHYL-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H9O2Br |
| InChI | InChI=1S/C6H9BrO2/c1-5(4-7)3-6(8)9-2/h3H,4H2,1-2H3/b5-3- |
| InChIKey | BBMCPEOFGAIHQK-HYXAFXHYSA-N |
| Molecular Weight | 191.9783 |
| SMILES | C(Br)\C(=C/C(OC)=O)C |
| SPLASH | splash10-0gwf-9500000000-036fb2cae0a1777085e9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |