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(1R,2S)-N-Methyl-N-4'-chlorobenzyl-1,2-diphenyl-2-aminoethanol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S)-N-Methyl-N-4'-chlorobenzyl-1,2-diphenyl-2-aminoethanol
SpectraBase Compound ID 94irgzhk9Xu
InChI InChI=1S/C22H22ClNO/c1-24(16-17-12-14-20(23)15-13-17)21(18-8-4-2-5-9-18)22(25)19-10-6-3-7-11-19/h2-15,21-22,25H,16H2,1H3/t21-,22+/m0/s1
InChIKey MCFVJKNPTUVQLB-FCHUYYIVSA-N
Mol Weight 351.88 g/mol
Molecular Formula C22H22ClNO
Exact Mass 351.138992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BD6pip8EhH6
Name (1R,2S)-N-Methyl-N-4'-chlorobenzyl-1,2-diphenyl-2-aminoethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.138992031 u
Formula C22H22ClNO
InChI InChI=1S/C22H22ClNO/c1-24(16-17-12-14-20(23)15-13-17)21(18-8-4-2-5-9-18)22(25)19-10-6-3-7-11-19/h2-15,21-22,25H,16H2,1H3/t21-,22+/m0/s1
InChIKey MCFVJKNPTUVQLB-FCHUYYIVSA-N
Molecular Weight 351.877 g/mol
SMILES [C@](N(CC1=CC=C(C=C1)Cl)C)([C@@](C=1C=CC=CC1)(O)[H])(C1=CC=CC=C1)[H]