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cis-6-(3-Chloropropyl)-5-methyl-4-(phenylthio)-1-tosyl-1,2,5,6-tetrahydro-2-pyridinone
SpectraBase Compound ID 8pqK7I2XQgO
InChI InChI=1S/C22H24ClNO3S2/c1-16-10-12-19(13-11-16)29(26,27)24-20(9-6-14-23)17(2)21(15-22(24)25)28-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,17,20H,6,9,14H2,1-2H3/t17-,20+/m0/s1
InChIKey XIVXZAWTCVJNHL-FXAWDEMLSA-N
Mol Weight 450.01 g/mol
Molecular Formula C22H24ClNO3S2
Exact Mass 449.088614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrM2NnNwBTi
Name cis-6-(3-Chloropropyl)-5-methyl-4-(phenylthio)-1-tosyl-1,2,5,6-tetrahydro-2-pyridinone
Alternate Name(s) (5S,6R)-6-(3-chloropropyl)-5-methyl-4-(phenylthio)-1-tosyl-5,6-dihydropyridin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClNO3S2
InChI InChI=1S/C22H24ClNO3S2/c1-16-10-12-19(13-11-16)29(26,27)24-20(9-6-14-23)17(2)21(15-22(24)25)28-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,17,20H,6,9,14H2,1-2H3/t17-,20+/m0/s1
InChIKey XIVXZAWTCVJNHL-FXAWDEMLSA-N
Molecular Weight 450.011 g/mol
SMILES c1(S(N2C(C=C([C@]([C@]2(CCCCl)[H])(C)[H])Sc2ccccc2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9001000000-1584b728dcdff695c921
Source of Spectrum F-70-7461-3c
Wiley ID 1743176