| SpectraBase Compound ID | 4IYWpXw0obO |
|---|---|
| InChI | InChI=1S/C13H14BrNO/c1-10(2)7-8-11(9-15)16-13-6-4-3-5-12(13)14/h3-7,11H,8H2,1-2H3 |
| InChIKey | RANKFYONOAVMTM-UHFFFAOYSA-N |
| Mol Weight | 280.17 g/mol |
| Molecular Formula | C13H14BrNO |
| Exact Mass | 279.025877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mnkOpE8kZI |
|---|---|
| Name | 2-(o-Bromophenoxy)-5-methyl-4-hexenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.025877074 u |
| Formula | C13H14BrNO |
| InChI | InChI=1S/C13H14BrNO/c1-10(2)7-8-11(9-15)16-13-6-4-3-5-12(13)14/h3-7,11H,8H2,1-2H3 |
| InChIKey | RANKFYONOAVMTM-UHFFFAOYSA-N |
| SMILES | C(#N)C(OC=1C(Br)=CC=CC1)CC=C(C)C |