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4-(2'-Hydroxy-isobutyl)-4,5-cis-diphenyl-3-pyrrolidino-cyclopent-2-en-one
SpectraBase Compound ID 8lK3wyFehYT
InChI InChI=1S/C25H29NO2/c1-24(2,28)18-25(20-13-7-4-8-14-20)22(26-15-9-10-16-26)17-21(27)23(25)19-11-5-3-6-12-19/h3-8,11-14,17,23,28H,9-10,15-16,18H2,1-2H3/t23-,25+/m1/s1
InChIKey PSMOALBBGWGPTB-NOZRDPDXSA-N
Mol Weight 375.51 g/mol
Molecular Formula C25H29NO2
Exact Mass 375.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UdaWJqkrql
Name 4-(2'-Hydroxy-isobutyl)-4,5-cis-diphenyl-3-pyrrolidino-cyclopent-2-en-one
Alternate Name(s) (4S,5S)-4-(2-hydroxy-2-methylpropyl)-4,5-diphenyl-3-(pyrrolidin-1-yl)cyclopent-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO2
InChI InChI=1S/C25H29NO2/c1-24(2,28)18-25(20-13-7-4-8-14-20)22(26-15-9-10-16-26)17-21(27)23(25)19-11-5-3-6-12-19/h3-8,11-14,17,23,28H,9-10,15-16,18H2,1-2H3/t23-,25+/m1/s1
InChIKey PSMOALBBGWGPTB-NOZRDPDXSA-N
Literature Reference DOI 10.1002/hlca.19740570827
Molecular Weight 375.512 g/mol
SMILES OC(C[C@]1([C@@](C(=O)C=C1N1CCCC1)(c1ccccc1)[H])c1ccccc1)(C)C
SPLASH splash10-0gdi-1019000000-52fd4f519769a778a26b
Source of Spectrum H-57-2545-35
Wiley ID 1797273