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diphenyl r-2-methoxycarbonyl-2,c-5-diphenylpyrrolidin-c-3,c-4-dicarboxylate
SpectraBase Compound ID CPTbAd6NToS
InChI InChI=1S/C32H27NO6/c1-37-31(36)32(23-16-8-3-9-17-23)27(30(35)39-25-20-12-5-13-21-25)26(28(33-32)22-14-6-2-7-15-22)29(34)38-24-18-10-4-11-19-24/h2-21,26-28,33H,1H3/t26-,27-,28-,32-/m0/s1
InChIKey PHUIWEINBHVXKO-OAJQQGRKSA-N
Mol Weight 521.6 g/mol
Molecular Formula C32H27NO6
Exact Mass 521.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Wygtl12a9E
Name diphenyl r-2-methoxycarbonyl-2,c-5-diphenylpyrrolidin-c-3,c-4-dicarboxylate
Alternate Name(s) 2-methyl 3,4-diphenyl (2R,3R,4S,5R)-2,5-diphenyl-2,3,4-pyrrolidinetricarboxylate
CAS Registry Number 113370-50-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H27NO6
InChI InChI=1S/C32H27NO6/c1-37-31(36)32(23-16-8-3-9-17-23)27(30(35)39-25-20-12-5-13-21-25)26(28(33-32)22-14-6-2-7-15-22)29(34)38-24-18-10-4-11-19-24/h2-21,26-28,33H,1H3/t26-,27-,28-,32-/m0/s1
InChIKey PHUIWEINBHVXKO-OAJQQGRKSA-N
Molecular Weight 521.569 g/mol
SMILES N1[C@]([C@]([C@]([C@]1(C(=O)OC)c1ccccc1)(C(Oc1ccccc1)=O)[H])(C(Oc1ccccc1)=O)[H])(c1ccccc1)[H]
SPLASH splash10-03di-0000900000-e78b54734c1ead5e5ae1
Source of Spectrum KC-1987-2281-10
Wiley ID 1402135