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4-[(Z)-3-bromanylprop-2-enoxy]benzenecarbonitrile
SpectraBase Compound ID 1Q2TJaF0EdN
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
Mol Weight 238.08 g/mol
Molecular Formula C10H8BrNO
Exact Mass 236.978927 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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