![2-[(Z)-3-bromanylprop-2-enoxy]benzenecarbonitrile](/api/spectrum/IYQnF1yEPgu/structure.png?h=300&w=458 "2-[(Z)-3-bromanylprop-2-enoxy]benzenecarbonitrile")
| SpectraBase Compound ID | 6DZq5Ilun5g |
|---|---|
| InChI | InChI=1S/C10H8BrNO/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-6H,7H2/b6-3- |
| InChIKey | YXIBNFKGESXSSD-UTCJRWHESA-N |
| Mol Weight | 238.08 g/mol |
| Molecular Formula | C10H8BrNO |
| Exact Mass | 236.978927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYQnF1yEPgu |
|---|---|
| Name | 2-[(Z)-3-Bromanylprop-2-enoxy]benzenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.978926881 u |
| Formula | C10H8BrNO |
| InChI | InChI=1S/C10H8BrNO/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-6H,7H2/b6-3- |
| InChIKey | YXIBNFKGESXSSD-UTCJRWHESA-N |
| Molecular Weight | 238.084 g/mol |
| SMILES | C(#N)C=1C(OC\C=C/Br)=CC=CC1 |