| SpectraBase Compound ID | C4ixCdwiUNe |
|---|---|
| InChI | InChI=1S/C9H12BrNO2/c1-3-13-9(12)8(6-11)5-4-7(2)10/h8H,2-5H2,1H3 |
| InChIKey | WBCWXKLGPYIQQC-UHFFFAOYSA-N |
| Mol Weight | 246.1 g/mol |
| Molecular Formula | C9H12BrNO2 |
| Exact Mass | 245.005142 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EIuMAcDVCDf |
|---|---|
| Name | Ethyl 5-bromo-2-cyanohex-5-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12BrNO2 |
| InChI | InChI=1S/C9H12BrNO2/c1-3-13-9(12)8(6-11)5-4-7(2)10/h8H,2-5H2,1H3 |
| InChIKey | WBCWXKLGPYIQQC-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol802012q |
| Molecular Weight | 246.104 g/mol |
| SMILES | C(=C)(Br)CCC(C#N)C(OCC)=O |
| SPLASH | splash10-00kr-8900000000-d74f7b3ecdc0b40e9199 |
| Source of Spectrum | A1-10-5285/SMS7-9a |
| Wiley ID | 1756351 |