SpectraBase Spectrum ID |
FeGApmu3xUH |
Name |
4-[(Z)-3-Bromanylprop-2-enoxy]benzenecarbonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.978926881 u |
Formula |
C10H8BrNO |
InChI |
InChI=1S/C10H8BrNO/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1-6H,7H2/b6-1- |
InChIKey |
DIMYKZQMCGATHN-BHQIHCQQSA-N |
Molecular Weight |
238.084 g/mol |
SMILES |
C(#N)C1=CC=C(C=C1)OC\C=C/Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889202 |