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(2R,5R)-Bis[hydroxybis(4-methylphenyl)methyl]-N-methylpyrrolidine
SpectraBase Compound ID 1heX7bEpzRG
InChI InChI=1S/C35H39NO2/c1-24-6-14-28(15-7-24)34(37,29-16-8-25(2)9-17-29)32-22-23-33(36(32)5)35(38,30-18-10-26(3)11-19-30)31-20-12-27(4)13-21-31/h6-21,32-33,37-38H,22-23H2,1-5H3/t32-,33-/m1/s1
InChIKey CNYSIQPBQRCDBD-CZNDPXEESA-N
Mol Weight 505.7 g/mol
Molecular Formula C35H39NO2
Exact Mass 505.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw8VpROEF2D
Name (2R,5R)-Bis[hydroxybis(4-methylphenyl)methyl]-N-methylpyrrolidine
Alternate Name(s) ((2R,5R)-5-{hydroxy[bis(4-methylphenyl)]methyl}-1-methylpyrrolidinyl)[bis(4-methylphenyl)]methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H39NO2
InChI InChI=1S/C35H39NO2/c1-24-6-14-28(15-7-24)34(37,29-16-8-25(2)9-17-29)32-22-23-33(36(32)5)35(38,30-18-10-26(3)11-19-30)31-20-12-27(4)13-21-31/h6-21,32-33,37-38H,22-23H2,1-5H3/t32-,33-/m1/s1
InChIKey CNYSIQPBQRCDBD-CZNDPXEESA-N
Molecular Weight 505.702 g/mol
SMILES OC([C@@]1(N([C@@](C(c2ccc(cc2)C)(c2ccc(cc2)C)O)(CC1)[H])C)[H])(c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-0006-0090010000-9cd032988fc8ab8adb63
Source of Spectrum KC-0-2551-7
Wiley ID 825971