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3-[(4'-Chlorophenacyl)thio]-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile
SpectraBase Compound ID BOp8Sle6Di2
InChI InChI=1S/C19H17ClN2OS/c1-12-15-4-2-3-5-16(15)17(10-21)19(22-12)24-11-18(23)13-6-8-14(20)9-7-13/h6-9H,2-5,11H2,1H3
InChIKey WQNNATGCMZUQBE-UHFFFAOYSA-N
Mol Weight 356.87 g/mol
Molecular Formula C19H17ClN2OS
Exact Mass 356.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B330lGsy1a4
Name 3-[(4'-Chlorophenacyl)thio]-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile
Alternate Name(s) 3-([2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl)-1-methyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS Registry Number 315246-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClN2OS
InChI InChI=1S/C19H17ClN2OS/c1-12-15-4-2-3-5-16(15)17(10-21)19(22-12)24-11-18(23)13-6-8-14(20)9-7-13/h6-9H,2-5,11H2,1H3
InChIKey WQNNATGCMZUQBE-UHFFFAOYSA-N
Molecular Weight 356.871 g/mol
SMILES C1CCc2c(C1)c(nc(c2C#N)SCC(=O)c1ccc(cc1)Cl)C
SPLASH splash10-014r-5940000000-52b2a1ff18bc6745adf8
Wiley ID 1467740