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(E)-3-(benzylamino)-3-(methylthio)-2-(2-pyridyl)acrylonitrile

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

(E)-3-(benzylamino)-3-(methylthio)-2-(2-pyridyl)acrylonitrile
SpectraBase Compound ID 5hRA4VKPPLo
InChI InChI=1S/C16H15N3S/c1-20-16(19-12-13-7-3-2-4-8-13)14(11-17)15-9-5-6-10-18-15/h2-10,19H,12H2,1H3/b16-14-
InChIKey BHVINGNPOKDHJR-PEZBUJJGSA-N
Mol Weight 281.38 g/mol
Molecular Formula C16H15N3S
Exact Mass 281.098669 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3gbkClM8bUD
Name (E)-3-(Benzylamino)-3-(methylthio)-2-(2-pyridyl)acrylonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.098668669 u
Formula C16H15N3S
InChI InChI=1S/C16H15N3S/c1-20-16(19-12-13-7-3-2-4-8-13)14(11-17)15-9-5-6-10-18-15/h2-10,19H,12H2,1H3/b16-14-
InChIKey BHVINGNPOKDHJR-PEZBUJJGSA-N
SMILES C(N\C(=C/(C#N)C1=NC=CC=C1)SC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964543