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cis-5,6-Dimethyl-4-(phenylthio)-1-tosyl-1,2,5,6-tetrahydro-2-pyridinone
SpectraBase Compound ID 75knl9NwW0V
InChI InChI=1S/C20H21NO3S2/c1-14-9-11-18(12-10-14)26(23,24)21-16(3)15(2)19(13-20(21)22)25-17-7-5-4-6-8-17/h4-13,15-16H,1-3H3/t15-,16+/m0/s1
InChIKey LMYZYXHVDNCQRJ-JKSUJKDBSA-N
Mol Weight 387.51 g/mol
Molecular Formula C20H21NO3S2
Exact Mass 387.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsNNR6k5aE6
Name cis-5,6-Dimethyl-4-(phenylthio)-1-tosyl-1,2,5,6-tetrahydro-2-pyridinone
Alternate Name(s) (5S,6R)-5,6-dimethyl-4-(phenylthio)-1-tosyl-5,6-dihydropyridin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S2
InChI InChI=1S/C20H21NO3S2/c1-14-9-11-18(12-10-14)26(23,24)21-16(3)15(2)19(13-20(21)22)25-17-7-5-4-6-8-17/h4-13,15-16H,1-3H3/t15-,16+/m0/s1
InChIKey LMYZYXHVDNCQRJ-JKSUJKDBSA-N
Molecular Weight 387.512 g/mol
SMILES c1(S(N2C(C=C([C@]([C@]2(C)[H])(C)[H])Sc2ccccc2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-000x-9523000000-187b08bb2cecdfd5f742
Source of Spectrum F-70-7461-3b
Wiley ID 1743177