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3,5-Diphenyl-4-p-toluoyl-pyrrolidine-2-carboxylic acid methyl ester
SpectraBase Compound ID BPVKNihpB6n
InChI InChI=1S/C26H25NO3/c1-17-13-15-20(16-14-17)25(28)22-21(18-9-5-3-6-10-18)24(26(29)30-2)27-23(22)19-11-7-4-8-12-19/h3-16,21-24,27H,1-2H3
InChIKey ZLTWMIIWDSCMMT-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C26H25NO3
Exact Mass 399.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jb5kzGrZzYV
Name 3,5-Diphenyl-4-p-toluoyl-pyrrolidine-2-carboxylic acid methyl ester
CAS Registry Number 113273-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO3
InChI InChI=1S/C26H25NO3/c1-17-13-15-20(16-14-17)25(28)22-21(18-9-5-3-6-10-18)24(26(29)30-2)27-23(22)19-11-7-4-8-12-19/h3-16,21-24,27H,1-2H3
InChIKey ZLTWMIIWDSCMMT-UHFFFAOYSA-N
Molecular Weight 399.490 g/mol
SMILES N1C(C(C(C1c1ccccc1)C(c1ccc(cc1)C)=O)c1ccccc1)C(=O)OC
SPLASH splash10-014i-5900000000-abe5092ee1e1d6eedf41
Source of Spectrum J-53-1389-2
Synonyms 4-[(4-methylphenyl)-oxomethyl]-3,5-diphenyl-2-pyrrolidinecarboxylic acid methyl ester Methyl 4-(4-methylbenzoyl)-3,5-diphenyl-2-pyrrolidinecarboxylate Methyl 4-(4-methylbenzoyl)-3,5-diphenyl-pyrrolidine-2-carboxylate Methyl 4-(4-methylphenyl)carbonyl-3,5-diphenyl-pyrrolidine-2-carboxylate
Wiley ID 1369103