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(3R,4S)-1-(3-chloranylpropyl)-4-methyl-3-(4-methylphenyl)sulfonyl-piperidine-2,6-dione
SpectraBase Compound ID 5mkZ9iXj7Q7
InChI InChI=1S/C16H20ClNO4S/c1-11-4-6-13(7-5-11)23(21,22)15-12(2)10-14(19)18(16(15)20)9-3-8-17/h4-7,12,15H,3,8-10H2,1-2H3/t12-,15+/m0/s1
InChIKey KLAKZZVKWYXULE-SWLSCSKDSA-N
Mol Weight 357.85 g/mol
Molecular Formula C16H20ClNO4S
Exact Mass 357.080157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28l1tEl8Z36
Name (3R,4S)-1-(3-chloranylpropyl)-4-methyl-3-(4-methylphenyl)sulfonyl-piperidine-2,6-dione
Alternate Name(s) (3R,4S)-1-(3-chloropropyl)-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione (3R,4S)-1-(3-chloropropyl)-4-methyl-3-(p-tolylsulfonyl)piperidine-2,6-dione (3R,4S)-1-(3-chloropropyl)-4-methyl-3-tosyl-piperidine-2,6-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C16H20ClNO4S
InChI InChI=1S/C16H20ClNO4S/c1-11-4-6-13(7-5-11)23(21,22)15-12(2)10-14(19)18(16(15)20)9-3-8-17/h4-7,12,15H,3,8-10H2,1-2H3/t12-,15+/m0/s1
InChIKey KLAKZZVKWYXULE-SWLSCSKDSA-N
Molecular Weight 357.852 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)(C(N(CCCCl)C(C[C@@]1(C)[H])=O)=O)[H]
SPLASH splash10-0006-9000000000-7947e7892555d4c2e024
Source of Spectrum J-67-5046-1
Wiley ID 1570395