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3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-4-(methylthio)-2-phenyl-
SpectraBase Compound ID 3KAg1UMToAI
InChI InChI=1S/C17H16N2S/c1-20-17-13-9-5-6-10-15(13)19-16(14(17)11-18)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey PWMBCOBLXHOGJN-UHFFFAOYSA-N
Mol Weight 280.39 g/mol
Molecular Formula C17H16N2S
Exact Mass 280.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1et2Adagjt
Name 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-4-(methylthio)-2-phenyl-
CAS Registry Number 130445-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2S
InChI InChI=1S/C17H16N2S/c1-20-17-13-9-5-6-10-15(13)19-16(14(17)11-18)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey PWMBCOBLXHOGJN-UHFFFAOYSA-N
Molecular Weight 280.389 g/mol
SMILES c1(c(nc2c(c1SC)CCCC2)-c1ccccc1)C#N
SPLASH splash10-001k-0090000000-7515021d8a54194774a1
Source of Spectrum F-46-3712-12
Synonyms 3-Cyano-4-(methylthio)-2-phenyl-5,6,7,8-tetrahydroquinoline 4-(methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Wiley ID 1284144