| SpectraBase Compound ID | 1SYyQXvZ45N |
|---|---|
| InChI | InChI=1S/C5H7BrO2/c1-3(2)4(6)5(7)8/h1-2H3,(H,7,8) |
| InChIKey | PKWKVTRJEOMTSE-UHFFFAOYSA-N |
| Mol Weight | 179.01 g/mol |
| Molecular Formula | C5H7BrO2 |
| Exact Mass | 177.962942 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AqHHWrnbfmg |
|---|---|
| Name | 2-BUTENOIC ACID, 2-BROMO-3-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C5H7O2Br |
| InChI | InChI=1S/C5H7BrO2/c1-3(2)4(6)5(7)8/h1-2H3,(H,7,8) |
| InChIKey | PKWKVTRJEOMTSE-UHFFFAOYSA-N |
| Molecular Weight | 177.9627 |
| SMILES | OC(=O)C(Br)=C(C)C |
| SPLASH | splash10-0h7i-9600000000-3bb07dea6aeb2d76b3ce |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |