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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 7HnNE0MtUXI
Name 3-[(4'-CHLOROPHENACYL)THIO]-5,6,7,8-TETRAHYDRO-1-METHYL-4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 356.0747
SMILES C1Cc2c(C)nc(SCC(c3ccc(Cl)cc3)=O)c(C#N)c2CC1
SPLASH splash10-014r-5940000000-2e312a740182d2ac5c99
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany