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4a,5,6,7,8,8a-Hexahydro-5-methyl-2-propyl-3-(p-toluenesulfonyl)-4-quinolinone
SpectraBase Compound ID 4WmKGE24CXF
InChI InChI=1S/C20H27NO3S/c1-4-6-17-20(25(23,24)15-11-9-13(2)10-12-15)19(22)18-14(3)7-5-8-16(18)21-17/h9-12,14,16,18,21H,4-8H2,1-3H3/t14-,16-,18+/m1/s1
InChIKey YNQDDUVNMIEQLI-KYJSFNMBSA-N
Mol Weight 361.5 g/mol
Molecular Formula C20H27NO3S
Exact Mass 361.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUw7AgqPHLS
Name 4a,5,6,7,8,8a-Hexahydro-5-methyl-2-propyl-3-(p-toluenesulfonyl)-4-quinolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3S
InChI InChI=1S/C20H27NO3S/c1-4-6-17-20(25(23,24)15-11-9-13(2)10-12-15)19(22)18-14(3)7-5-8-16(18)21-17/h9-12,14,16,18,21H,4-8H2,1-3H3/t14-,16-,18+/m1/s1
InChIKey YNQDDUVNMIEQLI-KYJSFNMBSA-N
Molecular Weight 361.500 g/mol
SMILES N1[C@@]2(CCC[C@]([C@@]2(C(C(=C1CCC)S(c1ccc(cc1)C)(=O)=O)=O)[H])(C)[H])[H]
SPLASH splash10-0007-4290000000-529a85e57dd4c0929ba7
Source of Spectrum J-63-6570-2
Synonyms (4aS,5R,8aR)-5-Methyl-2-propyl-3-(toluene-4-sulfonyl)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one 5-Methyl-3-[(4-methylphenyl)sulfonyl]-2-propyl-4a,5,6,7,8,8a-hexahydro-4(1H)-quinolinone (4aS,5R,8aR)-5-methyl-2-propyl-3-(p-tolylsulfonyl)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one (4aS,5R,8aR)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
Wiley ID 1348989