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cis-2-(Ethoxycarbonyl)-1-tosyl-3-methyl-tetrahydropyridine-4-one
SpectraBase Compound ID 7Z7eetrRpxD
InChI InChI=1S/C16H19NO5S/c1-4-22-16(19)15-12(3)14(18)9-10-17(15)23(20,21)13-7-5-11(2)6-8-13/h5-10,12,15H,4H2,1-3H3/t12-,15+/m0/s1
InChIKey VMPGKLKEFQBPAI-SWLSCSKDSA-N
Mol Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Exact Mass 337.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV2BlgFgBug
Name cis-2-(Ethoxycarbonyl)-1-tosyl-3-methyl-tetrahydropyridine-4-one
Alternate Name(s) Ethyl (2R,3R)-3-methyl-1-[(4-methylphenyl)sulfonyl]-4-oxo-1,2,3,4-tetrahydro-2-pyridinecarboxylate
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Formula C16H19NO5S
InChI InChI=1S/C16H19NO5S/c1-4-22-16(19)15-12(3)14(18)9-10-17(15)23(20,21)13-7-5-11(2)6-8-13/h5-10,12,15H,4H2,1-3H3/t12-,15+/m0/s1
InChIKey VMPGKLKEFQBPAI-SWLSCSKDSA-N
Molecular Weight 337.390 g/mol
SMILES c1(S(N2[C@]([C@@](C)(C(C=C2)=O)[H])(C(=O)OCC)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-000i-0509000000-7c7e31df2e2b66df858d
Source of Spectrum J-61-4598-20
Wiley ID 1332985