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Cyclohexanecarbonitrile, 1-[[[4,5-dimethoxy-2-(methylthio)phenyl]methyl]amino]-
SpectraBase Compound ID JbmnIU0cD92
InChI InChI=1S/C17H24N2O2S/c1-20-14-9-13(16(22-3)10-15(14)21-2)11-19-17(12-18)7-5-4-6-8-17/h9-10,19H,4-8,11H2,1-3H3
InChIKey SQTMIFOCYRYCES-UHFFFAOYSA-N
Mol Weight 320.45 g/mol
Molecular Formula C17H24N2O2S
Exact Mass 320.155849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ami20VWu5gZ
Name Cyclohexanecarbonitrile, 1-[[[4,5-dimethoxy-2-(methylthio)phenyl]methyl]amino]-
Alternate Name(s) 1-[2-methylthio-4,5-dimethoxy-benzylamino]-cyclohexanecarbonitrile 1-{[4,5-dimethoxy-2-(methylsulfanyl)benzyl]amino}cyclohexanecarbonitrile
CAS Registry Number 128070-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O2S
InChI InChI=1S/C17H24N2O2S/c1-20-14-9-13(16(22-3)10-15(14)21-2)11-19-17(12-18)7-5-4-6-8-17/h9-10,19H,4-8,11H2,1-3H3
InChIKey SQTMIFOCYRYCES-UHFFFAOYSA-N
Molecular Weight 320.451 g/mol
SMILES N(C1(C#N)CCCCC1)Cc1c(cc(c(c1)OC)OC)SC
SPLASH splash10-0002-0940000000-703cf980aeb65b44c538
Source of Spectrum KC-1990-506-4
Wiley ID 1320042