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Dimethyl 1-benzyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate isomer
SpectraBase Compound ID 4OzpMIjWfeO
InChI InChI=1S/C27H27NO4/c1-31-26(29)22-23(27(30)32-2)25(21-16-10-5-11-17-21)28(18-19-12-6-3-7-13-19)24(22)20-14-8-4-9-15-20/h3-17,22-25H,18H2,1-2H3/t22-,23+,24-,25-/m0/s1
InChIKey LXPNOTNPGVAGPM-NDBXHCKUSA-N
Mol Weight 429.52 g/mol
Molecular Formula C27H27NO4
Exact Mass 429.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5OgDutmsW2
Name Dimethyl 1-benzyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate isomer
Alternate Name(s) (2R,3S,4R,5R)-Dimethyl 1-benzyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate isomer
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Formula C27H27NO4
InChI InChI=1S/C27H27NO4/c1-31-26(29)22-23(27(30)32-2)25(21-16-10-5-11-17-21)28(18-19-12-6-3-7-13-19)24(22)20-14-8-4-9-15-20/h3-17,22-25H,18H2,1-2H3/t22-,23+,24-,25-/m0/s1
InChIKey LXPNOTNPGVAGPM-NDBXHCKUSA-N
Molecular Weight 429.516 g/mol
SMILES [C@@]1(N([C@]([C@]([C@]1(C(=O)OC)[H])(C(=O)OC)[H])(c1ccccc1)[H])Cc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-0006-0901400000-933b0caedd5388bea46a
Source of Spectrum SO-0-369-6
Wiley ID 873482