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(4S,5S)-4-(2-Furyl)-5-(2-hydroxyphenyl)-1-phenylpyrrolidin-2-one
SpectraBase Compound ID 1IaxLW6nt1k
InChI InChI=1S/C20H17NO3/c22-17-10-5-4-9-15(17)20-16(18-11-6-12-24-18)13-19(23)21(20)14-7-2-1-3-8-14/h1-12,16,20,22H,13H2/t16-,20-/m1/s1
InChIKey CYIJHNIALJSKPJ-OXQOHEQNSA-N
Mol Weight 319.36 g/mol
Molecular Formula C20H17NO3
Exact Mass 319.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i3o8dSy1yM
Name (4S,5S)-4-(2-Furyl)-5-(2-hydroxyphenyl)-1-phenylpyrrolidin-2-one
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.120843408 u
Formula C20H17NO3
InChI InChI=1S/C20H17NO3/c22-17-10-5-4-9-15(17)20-16(18-11-6-12-24-18)13-19(23)21(20)14-7-2-1-3-8-14/h1-12,16,20,22H,13H2/t16-,20-/m1/s1
InChIKey CYIJHNIALJSKPJ-OXQOHEQNSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703263
Optical Rotation [a]D20 = +158.3 (c = 0.98, CHCl3)
Quality 183
Reported Formula C20H17NO3
SMILES OC1=C([C@@]2([C@@](C=3OC=CC3)(CC(N2C2=CC=CC=C2)=O)[H])[H])C=CC=C1
SPLASH splash10-0002-3903000000-4bff0c67c34dcf49b79c
Sample Comments dr = 12:1, 90% ee
Source of Spectrum QE-23-SM22-3u (DOI: 10.1002/chem.201703263)
Wiley ID 1905944