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(+-)-4-Methyl-3-(p-toluenesulfonyl)-3,4-dehydroquinolizidin-2-one
SpectraBase Compound ID 6E4AI1NFK1u
InChI InChI=1S/C17H21NO3S/c1-12-6-8-15(9-7-12)22(20,21)17-13(2)18-10-4-3-5-14(18)11-16(17)19/h6-9,14H,3-5,10-11H2,1-2H3/t14-/m1/s1
InChIKey OPTOUPJEJZXIFW-CQSZACIVSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly4zTNASbYT
Name (+-)-4-Methyl-3-(p-toluenesulfonyl)-3,4-dehydroquinolizidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-12-6-8-15(9-7-12)22(20,21)17-13(2)18-10-4-3-5-14(18)11-16(17)19/h6-9,14H,3-5,10-11H2,1-2H3/t14-/m1/s1
InChIKey OPTOUPJEJZXIFW-CQSZACIVSA-N
Molecular Weight 319.419 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C(N2CCCC[C@@]2(CC1=O)[H])C
SPLASH splash10-0udi-0090000000-b2202a91304ff087d022
Source of Spectrum F-70-971-19
Synonyms (9aR)-4-methyl-3-(p-tolylsulfonyl)-1,6,7,8,9,9a-hexahydroquinolizin-2-one (9aR)-4-methyl-3-(4-methylphenyl)sulfonyl-1,6,7,8,9,9a-hexahydroquinolizin-2-one
Wiley ID 1596231