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(3R*,4S*)-1-Benzyl-4-methyl-3-(toluene-4-sulfonyl)-3,4-dihydro-5H-pyridine-2,6-dione
SpectraBase Compound ID 7VQTl4bqoe2
InChI InChI=1S/C20H21NO4S/c1-14-8-10-17(11-9-14)26(24,25)19-15(2)12-18(22)21(20(19)23)13-16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3/t15-,19+/m0/s1
InChIKey ATYPRKHHCNTZAS-HNAYVOBHSA-N
Mol Weight 371.45 g/mol
Molecular Formula C20H21NO4S
Exact Mass 371.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UUUhrCFuFH
Name (3R*,4S*)-1-Benzyl-4-methyl-3-(toluene-4-sulfonyl)-3,4-dihydro-5H-pyridine-2,6-dione
Alternate Name(s) (3R,4S)-1-benzyl-4-methyl-3-[(4-methylphenyl)sulfonyl]-2,6-piperidinedione (3R,4S)-1-benzyl-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione (3R,4S)-1-benzyl-4-methyl-3-(p-tolylsulfonyl)piperidine-2,6-dione (3R,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)piperidine-2,6-dione
Comments Less than 3 mono-isotopic peaks
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Formula C20H21NO4S
InChI InChI=1S/C20H21NO4S/c1-14-8-10-17(11-9-14)26(24,25)19-15(2)12-18(22)21(20(19)23)13-16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3/t15-,19+/m0/s1
InChIKey ATYPRKHHCNTZAS-HNAYVOBHSA-N
Molecular Weight 371.451 g/mol
SMILES C1(N(C(C[C@@]([C@]1(S(c1ccc(cc1)C)(=O)=O)[H])(C)[H])=O)Cc1ccccc1)=O
SPLASH splash10-0006-9000000000-86013d073015fd51534b
Source of Spectrum J-67-5046-1
Wiley ID 1570399