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(3S,4R,9aR)-3-chloranyl-4-methyl-3-(4-methylphenyl)sulfonyl-4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-one
SpectraBase Compound ID IZ0svgwppiv
InChI InChI=1S/C17H22ClNO3S/c1-12-6-8-15(9-7-12)23(21,22)17(18)13(2)19-10-4-3-5-14(19)11-16(17)20/h6-9,13-14H,3-5,10-11H2,1-2H3/t13-,14-,17-/m1/s1
InChIKey IQJDINGOKIQXNQ-CKEIUWERSA-N
Mol Weight 355.88 g/mol
Molecular Formula C17H22ClNO3S
Exact Mass 355.100892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 757wxQRYIv5
Name (3S,4R,9aR)-3-chloranyl-4-methyl-3-(4-methylphenyl)sulfonyl-4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22ClNO3S
InChI InChI=1S/C17H22ClNO3S/c1-12-6-8-15(9-7-12)23(21,22)17(18)13(2)19-10-4-3-5-14(19)11-16(17)20/h6-9,13-14H,3-5,10-11H2,1-2H3/t13-,14-,17-/m1/s1
InChIKey IQJDINGOKIQXNQ-CKEIUWERSA-N
Molecular Weight 355.880 g/mol
SMILES [C@]1(S(c2ccc(cc2)C)(=O)=O)([C@](N2CCCC[C@@]2(CC1=O)[H])(C)[H])Cl
SPLASH splash10-12t9-4953000000-5df4cd31357eaa91ba52
Source of Spectrum F-70-971-20
Synonyms (3S,4R,9aR)-3-chloro-4-methyl-3-(4-methylphenyl)sulfonyl-4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-one (3S,4R,9aR)-3-chloro-4-methyl-3-(p-tolylsulfonyl)-4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-one (3S,4R,9aR)-3-chloro-4-methyl-3-tosyl-quinolizidin-2-one
Wiley ID 1596230