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diphenyl 2-methyl-c-5-phenyl-r-2-methoxycarbonylpyrrolidine-c-3,c-4-dicarboxylate
SpectraBase Compound ID FSh3G9oCVNu
InChI InChI=1S/C27H25NO6/c1-27(26(31)32-2)22(25(30)34-20-16-10-5-11-17-20)21(23(28-27)18-12-6-3-7-13-18)24(29)33-19-14-8-4-9-15-19/h3-17,21-23,28H,1-2H3/t21-,22-,23?,27?/m0/s1
InChIKey IGJHECKPAOJKES-SRRHAGQNSA-N
Mol Weight 459.5 g/mol
Molecular Formula C27H25NO6
Exact Mass 459.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ducze4JVL1z
Name diphenyl 2-methyl-c-5-phenyl-r-2-methoxycarbonylpyrrolidine-c-3,c-4-dicarboxylate
Alternate Name(s) 2-methyl 3,4-diphenyl (3R,4S)-2-methyl-5-phenyl-2,3,4-pyrrolidinetricarboxylate
CAS Registry Number 113370-51-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO6
InChI InChI=1S/C27H25NO6/c1-27(26(31)32-2)22(25(30)34-20-16-10-5-11-17-20)21(23(28-27)18-12-6-3-7-13-18)24(29)33-19-14-8-4-9-15-19/h3-17,21-23,28H,1-2H3/t21-,22-,23?,27?/m0/s1
InChIKey IGJHECKPAOJKES-SRRHAGQNSA-N
Molecular Weight 459.498 g/mol
SMILES N1C([C@]([C@](C1(C(=O)OC)C)(C(Oc1ccccc1)=O)[H])(C(Oc1ccccc1)=O)[H])c1ccccc1
SPLASH splash10-0udi-0000900000-4846c0abecee46529f06
Source of Spectrum KC-1987-2281-10
Wiley ID 1390254