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cis-6-(4-Chlorobutyl)-5-methyl-4-(phenylthio)-1,2,5,6-tetrahydro-2-pyridinone

View entire compound with spectra: 1 MS (GC)

cis-6-(4-Chlorobutyl)-5-methyl-4-(phenylthio)-1,2,5,6-tetrahydro-2-pyridinone
SpectraBase Compound ID 7Xg0Ap5hhDf
InChI InChI=1S/C16H20ClNOS/c1-12-14(9-5-6-10-17)18-16(19)11-15(12)20-13-7-3-2-4-8-13/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,18,19)/t12-,14+/m0/s1
InChIKey LSCUPYZAULLAJG-GXTWGEPZSA-N
Mol Weight 309.86 g/mol
Molecular Formula C16H20ClNOS
Exact Mass 309.095413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3nh1TEk4Ya
Name cis-6-(4-Chlorobutyl)-5-methyl-4-(phenylthio)-1,2,5,6-tetrahydro-2-pyridinone
Alternate Name(s) (5S,6R)-6-(4-chlorobutyl)-5-methyl-4-(phenylthio)-5,6-dihydropyridin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClNOS
InChI InChI=1S/C16H20ClNOS/c1-12-14(9-5-6-10-17)18-16(19)11-15(12)20-13-7-3-2-4-8-13/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,18,19)/t12-,14+/m0/s1
InChIKey LSCUPYZAULLAJG-GXTWGEPZSA-N
Molecular Weight 309.855 g/mol
SMILES N1C(C=C([C@]([C@]1(CCCCCl)[H])(C)[H])Sc1ccccc1)=O
SPLASH splash10-0frx-9541000000-3f52bf1b031463f6d385
Source of Spectrum F-70-7462-5
Wiley ID 1743174