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1-(4-Nitro-benzenesulfonyl)-5-phenyl-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid methyl ester
SpectraBase Compound ID 69f89htf2i5
InChI InChI=1S/C19H18N2O6S/c1-27-19(22)18-12-7-15(14-5-3-2-4-6-14)13-20(18)28(25,26)17-10-8-16(9-11-17)21(23)24/h2-11,18H,12-13H2,1H3
InChIKey PHBJFPAMHQZXOK-UHFFFAOYSA-N
Mol Weight 402.42 g/mol
Molecular Formula C19H18N2O6S
Exact Mass 402.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rKzLE9sckr
Name 1-(4-Nitro-benzenesulfonyl)-5-phenyl-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid methyl ester
Alternate Name(s) Methyl 1-[(4-nitrophenyl)sulfonyl]-5-phenyl-1,2,3,6-tetrahydro-2-pyridinecarboxylate Methyl 1-[(4-nitrophenyl)sulfonyl]-5-phenyl-1,2,3,6-tetrahydropyridine-2-yl(propan-1-one)
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Formula C19H18N2O6S
InChI InChI=1S/C19H18N2O6S/c1-27-19(22)18-12-7-15(14-5-3-2-4-6-14)13-20(18)28(25,26)17-10-8-16(9-11-17)21(23)24/h2-11,18H,12-13H2,1H3
InChIKey PHBJFPAMHQZXOK-UHFFFAOYSA-N
Molecular Weight 402.421 g/mol
SMILES C1(N(S(c2ccc(N(=O)=O)cc2)(=O)=O)CC(=CC1)c1ccccc1)C(=O)OC
SPLASH splash10-0a4i-0920000000-6c002b766e0a4c25dcb8
Source of Spectrum KC-61-10662-39
Wiley ID 1631109