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(4R,5S)-1-(3-Bromophenyl)-5-(2-hydroxyphenyl)-4-phenylpyrrolidin-2-one
SpectraBase Compound ID 6n6dfvD3FvG
InChI InChI=1S/C22H18BrNO2/c23-16-9-6-10-17(13-16)24-21(26)14-19(15-7-2-1-3-8-15)22(24)18-11-4-5-12-20(18)25/h1-13,19,22,25H,14H2/t19-,22-/m1/s1
InChIKey GMPCHKWGISRWIZ-DENIHFKCSA-N
Mol Weight 408.3 g/mol
Molecular Formula C22H18BrNO2
Exact Mass 407.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qcK2n4Mb2
Name (4R,5S)-1-(3-Bromophenyl)-5-(2-hydroxyphenyl)-4-phenylpyrrolidin-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.052091822 u
Formula C22H18BrNO2
InChI InChI=1S/C22H18BrNO2/c23-16-9-6-10-17(13-16)24-21(26)14-19(15-7-2-1-3-8-15)22(24)18-11-4-5-12-20(18)25/h1-13,19,22,25H,14H2/t19-,22-/m1/s1
InChIKey GMPCHKWGISRWIZ-DENIHFKCSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703263
Molecular Weight 408.295 g/mol
Optical Rotation [a]D20 = +71.8 (c = 0.51, CHCl3)
Quality 395
Reported Formula C22H18BrNO2
SMILES OC1=C([C@@]2([C@](CC(N2C2=CC(Br)=CC=C2)=O)(C2=CC=CC=C2)[H])[H])C=CC=C1
SPLASH splash10-004i-1890300000-76f835cc8fa952383bcb
Sample Comments dr >15:1, 94% ee
Source of Spectrum QE-23-SM8-3b (DOI: 10.1002/chem.201703263)
Wiley ID 1905926