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1-((4R,5S)-3-hydroxy-5-(2-oxopropyl)-4,5-diphenylcyclopent-2-enylidene)pyrrolidinium chloride
SpectraBase Compound ID TpiuoCz3A3
InChI InChI=1S/C24H25NO2.ClH/c1-18(26)17-24(20-12-6-3-7-13-20)22(25-14-8-9-15-25)16-21(27)23(24)19-10-4-2-5-11-19;/h2-7,10-13,16,23H,8-9,14-15,17H2,1H3;1H/t23-,24-;/m0./s1
InChIKey IHGUWEPQYGPUPI-UKOKCHKQSA-N
Mol Weight 395.93 g/mol
Molecular Formula C24H26ClNO2
Exact Mass 395.165207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QxCMxN5vXP
Name 1-((4R,5S)-3-hydroxy-5-(2-oxopropyl)-4,5-diphenylcyclopent-2-enylidene)pyrrolidinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26ClNO2
InChI InChI=1S/C24H25NO2.ClH/c1-18(26)17-24(20-12-6-3-7-13-20)22(25-14-8-9-15-25)16-21(27)23(24)19-10-4-2-5-11-19;/h2-7,10-13,16,23H,8-9,14-15,17H2,1H3;1H/t23-,24-;/m0./s1
InChIKey IHGUWEPQYGPUPI-UKOKCHKQSA-N
Literature Reference DOI 10.1002/hlca.19740570827
Molecular Weight 395.930 g/mol
SMILES OC1=CC([C@]([C@]1(c1ccccc1)[H])(CC(C)=O)c1ccccc1)=[N+]1CCCC1.[Cl-]
SPLASH splash10-0uxr-2209000000-93e5e586bb4135b68024
Source of Spectrum H-57-2542-32
Synonyms 1-((4R,5S)-3-hydroxy-5-(2-oxopropyl)-4,5-diphenylcyclopent-2-en-1-ylidene)pyrrolidin-1-ium chloride
Wiley ID 1797270