| SpectraBase Compound ID | DPexv4FVKZ6 |
|---|---|
| InChI | InChI=1S/C9H15BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h4,6H,2-3,5,7-8H2,1H3/b6-4- |
| InChIKey | PYBYLIYKZRCVBI-XQRVVYSFSA-N |
| Mol Weight | 235.12 g/mol |
| Molecular Formula | C9H15BrO2 |
| Exact Mass | 234.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dn1p6JIbyC |
|---|---|
| Name | Ethyl (Z)-7-bromohept-5-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.025542721 u |
| Formula | C9H15BrO2 |
| InChI | InChI=1S/C9H15BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h4,6H,2-3,5,7-8H2,1H3/b6-4- |
| InChIKey | PYBYLIYKZRCVBI-XQRVVYSFSA-N |
| Molecular Weight | 235.121 g/mol |
| SMILES | C(=O)(OCC)CCC\C=C/CBr |