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N-p-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-nitrophenyl-.gamma.-butyrolactam
SpectraBase Compound ID ugVmaDUjPO
InChI InChI=1S/C20H18N2O7/c1-11-3-7-13(8-4-11)21-17(12-5-9-14(10-6-12)22(27)28)15(20(26)29-2)16(18(21)23)19(24)25/h3-10,15-17H,1-2H3,(H,24,25)/t15-,16-,17+/m0/s1
InChIKey VFOZZUXBQLYMIA-YESZJQIVSA-N
Mol Weight 398.37 g/mol
Molecular Formula C20H18N2O7
Exact Mass 398.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcvJnEBr3sa
Name N-p-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-nitrophenyl-.gamma.-butyrolactam
Alternate Name(s) (3S,4S,5S)-4-(methoxycarbonyl)-5-(4-nitrophenyl)-2-oxo-1-(p-tolyl)pyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-1-(4-methylphenyl)-5-(4-nitrophenyl)-2-oxo-3-pyrrolidinecarboxylic acid (3S,4S,5S)-4-methoxycarbonyl-1-(4-methylphenyl)-5-(4-nitrophenyl)-2-oxopyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-(p-tolyl)pyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-1-(4-methylphenyl)-5-(4-nitrophenyl)-2-oxidanylidene-pyrrolidine-3-carboxylic acid
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Formula C20H18N2O7
InChI InChI=1S/C20H18N2O7/c1-11-3-7-13(8-4-11)21-17(12-5-9-14(10-6-12)22(27)28)15(20(26)29-2)16(18(21)23)19(24)25/h3-10,15-17H,1-2H3,(H,24,25)/t15-,16-,17+/m0/s1
InChIKey VFOZZUXBQLYMIA-YESZJQIVSA-N
Molecular Weight 398.371 g/mol
SMILES OC([C@]1([C@@]([C@@](c2ccc(cc2)[N+](=O)[O-])(N(c2ccc(cc2)C)C1=O)[H])(C(OC)=O)[H])[H])=O
SPLASH splash10-0006-1094000000-ca4538bad6a0a67e6655
Source of Spectrum CJC-19-904-3d
Wiley ID 1773617