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1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SpectraBase Compound ID 6amsup4ZtQf
InChI InChI=1S/C21H22ClNO5S2/c22-15-8-10-16(11-9-15)29(25,26)17-4-3-5-18(14-17)30(27,28)23-13-12-21(24)19-6-1-2-7-20(19)23/h3-5,8-11,14,19-20H,1-2,6-7,12-13H2
InChIKey MEHACQVQVAQTIV-UHFFFAOYSA-N
Mol Weight 467.98 g/mol
Molecular Formula C21H22ClNO5S2
Exact Mass 467.062793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFSQljooDiB
Name 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO5S2
InChI InChI=1S/C21H22ClNO5S2/c22-15-8-10-16(11-9-15)29(25,26)17-4-3-5-18(14-17)30(27,28)23-13-12-21(24)19-6-1-2-7-20(19)23/h3-5,8-11,14,19-20H,1-2,6-7,12-13H2
InChIKey MEHACQVQVAQTIV-UHFFFAOYSA-N
Molecular Weight 467.982 g/mol
SMILES C1CCC2C(N(S(c3cc(S(c4ccc(cc4)Cl)(=O)=O)ccc3)(=O)=O)CCC2=O)C1
SPLASH splash10-0udl-9600100000-a70e60a96653d7b36a39
Wiley ID 1442508