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2-Allyl-2-(2-bromo-phenylsulfanyl)-pent-4-enenitrile

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

2-Allyl-2-(2-bromo-phenylsulfanyl)-pent-4-enenitrile
SpectraBase Compound ID J2U0HlSj2q8
InChI InChI=1S/C14H14BrNS/c1-3-9-14(11-16,10-4-2)17-13-8-6-5-7-12(13)15/h3-8H,1-2,9-10H2
InChIKey SERYJUYCLMIJRB-UHFFFAOYSA-N
Mol Weight 308.24 g/mol
Molecular Formula C14H14BrNS
Exact Mass 307.003034 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AxQOvo4XQwO
Name 2-Allyl-2-(2-bromo-phenylsulfanyl)-pent-4-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.003033629 u
Formula C14H14BrNS
InChI InChI=1S/C14H14BrNS/c1-3-9-14(11-16,10-4-2)17-13-8-6-5-7-12(13)15/h3-8H,1-2,9-10H2
InChIKey SERYJUYCLMIJRB-UHFFFAOYSA-N
Molecular Weight 308.237 g/mol
SMILES C(#N)C(SC=1C(Br)=CC=CC1)(CC=C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926486