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(R)-Methyl-4'-(2-(N,N-Dibenzylamino)-1-hydroxypropan-2-yl) biphenyl-4-carboxylate
SpectraBase Compound ID 5Wb7jyx0UYu
InChI InChI=1S/C31H31NO3/c1-31(23-33,32(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25)29-19-17-27(18-20-29)26-13-15-28(16-14-26)30(34)35-2/h3-20,33H,21-23H2,1-2H3/t31-/m0/s1
InChIKey QUXZFUXJQXCEOK-HKBQPEDESA-N
Mol Weight 465.59 g/mol
Molecular Formula C31H31NO3
Exact Mass 465.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJDXeLYITTt
Name (R)-Methyl-4'-(2-(N,N-Dibenzylamino)-1-hydroxypropan-2-yl) biphenyl-4-carboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31NO3
InChI InChI=1S/C31H31NO3/c1-31(23-33,32(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25)29-19-17-27(18-20-29)26-13-15-28(16-14-26)30(34)35-2/h3-20,33H,21-23H2,1-2H3/t31-/m0/s1
InChIKey QUXZFUXJQXCEOK-HKBQPEDESA-N
Instrument Name Hewlett-Packard tandem 5890A GC -5971
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.252
Molecular Weight 465.593 g/mol
Optical Rotation [a]D25 = +93.8 (c = 0.50, CHCl3)
Reported Formula C31H31NO3
SMILES OC[C@@](c1ccc(-c2ccc(C(OC)=O)cc2)cc1)(N(Cc1ccccc1)Cc1ccccc1)C
SPLASH splash10-000i-1490000000-5a872ebad612fa463adb
Source of Spectrum ARK-2014-252-16
Wiley ID 1843285