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6-(4-Chlorobutyl)-4-(phenylthio)-1-tosyl-1,6-dihydropyridin-2(3H)-one
SpectraBase Compound ID K7FYgbZsKC0
InChI InChI=1S/C22H24ClNO3S2/c1-17-10-12-21(13-11-17)29(26,27)24-18(7-5-6-14-23)15-20(16-22(24)25)28-19-8-3-2-4-9-19/h2-4,8-13,15,18H,5-7,14,16H2,1H3
InChIKey PEEGFFBPJSCYRX-UHFFFAOYSA-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 3iEQbwcIXVN
Name 6-(4-Chlorobutyl)-4-(phenylthio)-1-tosyl-1,6-dihydropyridin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClNO3S2
InChI InChI=1S/C22H24ClNO3S2/c1-17-10-12-21(13-11-17)29(26,27)24-18(7-5-6-14-23)15-20(16-22(24)25)28-19-8-3-2-4-9-19/h2-4,8-13,15,18H,5-7,14,16H2,1H3
InChIKey PEEGFFBPJSCYRX-UHFFFAOYSA-N
Molecular Weight 450.011 g/mol
SMILES c1(S(N2C(CC(=CC2CCCCCl)Sc2ccccc2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0a4i-9106000000-6b865d1acaa401473068
Source of Spectrum F4-43-760-3
Wiley ID 1675395