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(E)-2-(2-bromophenyl)sulfanyl-5-phenyl-pent-4-enenitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(E)-2-(2-bromophenyl)sulfanyl-5-phenyl-pent-4-enenitrile
SpectraBase Compound ID 6Wh9rCE0nrA
InChI InChI=1S/C17H14BrNS/c18-16-11-4-5-12-17(16)20-15(13-19)10-6-9-14-7-2-1-3-8-14/h1-9,11-12,15H,10H2/b9-6+
InChIKey CCLGXHSNZDOVCF-RMKNXTFCSA-N
Mol Weight 344.27 g/mol
Molecular Formula C17H14BrNS
Exact Mass 343.003034 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EdHErJ31eyI
Name (E)-2-(2-Bromophenyl)sulfanyl-5-phenyl-pent-4-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.003033629 u
Formula C17H14BrNS
InChI InChI=1S/C17H14BrNS/c18-16-11-4-5-12-17(16)20-15(13-19)10-6-9-14-7-2-1-3-8-14/h1-9,11-12,15H,10H2/b9-6+
InChIKey CCLGXHSNZDOVCF-RMKNXTFCSA-N
Molecular Weight 344.270 g/mol
SMILES C(#N)C(SC=1C(Br)=CC=CC1)C\C=C\C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869762