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N-p-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-cholorophenyl-.gamma.-butyrolactam
SpectraBase Compound ID 7p8gJeMVLxZ
InChI InChI=1S/C20H18ClNO5/c1-11-3-9-14(10-4-11)22-17(12-5-7-13(21)8-6-12)15(20(26)27-2)16(18(22)23)19(24)25/h3-10,15-17H,1-2H3,(H,24,25)/t15-,16-,17+/m0/s1
InChIKey XKRJXGIQNJQQBT-YESZJQIVSA-N
Mol Weight 387.82 g/mol
Molecular Formula C20H18ClNO5
Exact Mass 387.08735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F41M1Nx5Mx
Name N-p-Methylphenyl-trans,trans-.alpha.-carboxyl-.beta.-methoxycarbonyl-.gamma.-p-cholorophenyl-.gamma.-butyrolactam
Alternate Name(s) (3S,4S,5S)-5-(4-chlorophenyl)-4-(methoxycarbonyl)-2-oxo-1-(p-tolyl)pyrrolidine-3-carboxylic acid (3S,4S,5S)-5-(4-chlorophenyl)-4-methoxycarbonyl-1-(4-methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid (3S,4S,5S)-5-(4-chlorophenyl)-4-methoxycarbonyl-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid (3S,4S,5S)-5-(4-chlorophenyl)-4-methoxycarbonyl-2-oxo-1-(p-tolyl)pyrrolidine-3-carboxylic acid (3S,4S,5S)-5-(4-chlorophenyl)-4-methoxycarbonyl-1-(4-methylphenyl)-2-oxidanylidene-pyrrolidine-3-carboxylic acid
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Formula C20H18ClNO5
InChI InChI=1S/C20H18ClNO5/c1-11-3-9-14(10-4-11)22-17(12-5-7-13(21)8-6-12)15(20(26)27-2)16(18(22)23)19(24)25/h3-10,15-17H,1-2H3,(H,24,25)/t15-,16-,17+/m0/s1
InChIKey XKRJXGIQNJQQBT-YESZJQIVSA-N
Literature Reference DOI 10.1002/cjoc.20010190919
Molecular Weight 387.819 g/mol
SMILES OC([C@]1([C@@]([C@](N(c2ccc(cc2)C)C1=O)(c1ccc(cc1)Cl)[H])(C(OC)=O)[H])[H])=O
SPLASH splash10-003u-2092000000-781821c210443b386d24
Source of Spectrum CJC-19-904-3c
Wiley ID 1773616