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Benzeneacetic acid, .alpha.-[1,2-diphenyl-2-(1-pyrrolidinyl)cyclopropyl]-
SpectraBase Compound ID 52qxhN9zXaR
InChI InChI=1S/C27H27NO2/c29-25(30)19-21-11-7-8-16-24(21)26(22-12-3-1-4-13-22)20-27(26,28-17-9-10-18-28)23-14-5-2-6-15-23/h1-8,11-16H,9-10,17-20H2,(H,29,30)/t26-,27-/m1/s1
InChIKey RVKOMOVTVUGWEV-KAYWLYCHSA-N
Mol Weight 397.52 g/mol
Molecular Formula C27H27NO2
Exact Mass 397.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMRp2pjFClI
Name Benzeneacetic acid, .alpha.-[1,2-diphenyl-2-(1-pyrrolidinyl)cyclopropyl]-
CAS Registry Number 53343-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO2
InChI InChI=1S/C27H27NO2/c29-25(30)19-21-11-7-8-16-24(21)26(22-12-3-1-4-13-22)20-27(26,28-17-9-10-18-28)23-14-5-2-6-15-23/h1-8,11-16H,9-10,17-20H2,(H,29,30)/t26-,27-/m1/s1
InChIKey RVKOMOVTVUGWEV-KAYWLYCHSA-N
Molecular Weight 397.518 g/mol
SMILES OC(Cc1c([C@]2([C@](C2)(N2CCCC2)c2ccccc2)c2ccccc2)cccc1)=O
SPLASH splash10-03di-2490000000-c2630d7c5a1721f60bc8
Source of Spectrum K-107-2210-20
Synonyms (cis-1,2-diphenyl-2-pyrrolidinocyclopropyl)phenyl acetic acid {2-[(1R,2R)-1,2-diphenyl-2-(1-pyrrolidinyl)cyclopropyl]phenyl}acetic acid
Wiley ID 1368084