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(4R,5S)-5-(2-Hydroxyphenyl)-1,4-diphenylpyrrolidin-2-one
SpectraBase Compound ID Hv9dRXxphfq
InChI InChI=1S/C22H19NO2/c24-20-14-8-7-13-18(20)22-19(16-9-3-1-4-10-16)15-21(25)23(22)17-11-5-2-6-12-17/h1-14,19,22,24H,15H2/t19-,22-/m1/s1
InChIKey WRZGIEJTGXWGQR-DENIHFKCSA-N
Mol Weight 329.4 g/mol
Molecular Formula C22H19NO2
Exact Mass 329.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73weDAG6jg9
Name (4R,5S)-5-(2-Hydroxyphenyl)-1,4-diphenylpyrrolidin-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.141578854 u
Formula C22H19NO2
InChI InChI=1S/C22H19NO2/c24-20-14-8-7-13-18(20)22-19(16-9-3-1-4-10-16)15-21(25)23(22)17-11-5-2-6-12-17/h1-14,19,22,24H,15H2/t19-,22-/m1/s1
InChIKey WRZGIEJTGXWGQR-DENIHFKCSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703263
Molecular Weight 329.399 g/mol
Optical Rotation [a]D20 = +84.7 (c = 1.73, CHCl3)
Quality 310
Reported Formula C22H19NO2
SMILES OC1=C(C=CC=C1)[C@@]1([C@](CC(N1C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H])[H]
SPLASH splash10-0002-2900000000-ba3e14dcc57b0d12f074
Sample Comments dr = 10:1, 95% ee
Source of Spectrum QE-23-SM8-3a (DOI: 10.1002/chem.201703263)
Wiley ID 1905925