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N-phenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-nitrrophenyl-.gamma.-butyrolactam
SpectraBase Compound ID Gbq2PKmggtc
InChI InChI=1S/C19H16N2O7/c1-28-19(25)14-15(18(23)24)17(22)20(12-5-3-2-4-6-12)16(14)11-7-9-13(10-8-11)21(26)27/h2-10,14-16H,1H3,(H,23,24)/t14-,15-,16+/m0/s1
InChIKey XNDVFVLVXBUGJM-HRCADAONSA-N
Mol Weight 384.34 g/mol
Molecular Formula C19H16N2O7
Exact Mass 384.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIm3mgn6CS2
Name N-phenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-nitrrophenyl-.gamma.-butyrolactam
Alternate Name(s) (3S,4S,5S)-4-(methoxycarbonyl)-5-(4-nitrophenyl)-2-oxo-1-phenylpyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenyl-3-pyrrolidinecarboxylic acid (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenylpyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenyl-pyrrolidine-3-carboxylic acid (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylic acid
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Formula C19H16N2O7
InChI InChI=1S/C19H16N2O7/c1-28-19(25)14-15(18(23)24)17(22)20(12-5-3-2-4-6-12)16(14)11-7-9-13(10-8-11)21(26)27/h2-10,14-16H,1H3,(H,23,24)/t14-,15-,16+/m0/s1
InChIKey XNDVFVLVXBUGJM-HRCADAONSA-N
Literature Reference DOI 10.1002/cjoc.20010190919
Molecular Weight 384.344 g/mol
SMILES OC([C@]1([C@@]([C@@](c2ccc(cc2)[N+](=O)[O-])(N(c2ccccc2)C1=O)[H])(C(OC)=O)[H])[H])=O
SPLASH splash10-004i-1091000000-ad49333e73795af8dcd4
Source of Spectrum CJC-19-904-3h
Wiley ID 1773620