| SpectraBase Compound ID | BTH0Ps2G9az |
|---|---|
| InChI | InChI=1S/C7H9BrO3/c1-5(8)6(9)3-4-7(10)11-2/h3-5H,1-2H3/b4-3+ |
| InChIKey | HMLWILXKMCDVPT-ONEGZZNKSA-N |
| Mol Weight | 221.05 g/mol |
| Molecular Formula | C7H9BrO3 |
| Exact Mass | 219.973507 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GNp6fCOtBtt |
|---|---|
| Name | 5-BROMO-4-OXO-HEX-2-ENOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C7H9O3Br |
| InChI | InChI=1S/C7H9BrO3/c1-5(8)6(9)3-4-7(10)11-2/h3-5H,1-2H3/b4-3+ |
| InChIKey | HMLWILXKMCDVPT-ONEGZZNKSA-N |
| Molecular Weight | 219.9732 |
| SMILES | CC(C(\C=C\C(OC)=O)=O)Br |
| SPLASH | splash10-03di-7900000000-c61f8a6bdbc9ebe4084b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |