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N-[(1S,2R)-1,2-Diphenyl-2-(4-chlorophenylthio)ethyl]benzenemethanamine

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

N-[(1S,2R)-1,2-Diphenyl-2-(4-chlorophenylthio)ethyl]benzenemethanamine
SpectraBase Compound ID 3M3Ws0pMmUE
InChI InChI=1S/C27H24ClNS/c28-24-16-18-25(19-17-24)30-27(23-14-8-3-9-15-23)26(22-12-6-2-7-13-22)29-20-21-10-4-1-5-11-21/h1-19,26-27,29H,20H2/t26-,27+/m0/s1
InChIKey HFEUANMNUNMUON-RRPNLBNLSA-N
Mol Weight 430.01 g/mol
Molecular Formula C27H24ClNS
Exact Mass 429.131799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YlexeHm5gh
Name N-[(1S,2R)-1,2-Diphenyl-2-(4-chlorophenylthio)ethyl]benzenemethanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.131798651 u
Formula C27H24ClNS
InChI InChI=1S/C27H24ClNS/c28-24-16-18-25(19-17-24)30-27(23-14-8-3-9-15-23)26(22-12-6-2-7-13-22)29-20-21-10-4-1-5-11-21/h1-19,26-27,29H,20H2/t26-,27+/m0/s1
InChIKey HFEUANMNUNMUON-RRPNLBNLSA-N
Molecular Weight 430.009 g/mol
SMILES C=1(C=CC=CC1)CN[C@]([C@](SC=1C=CC(=CC1)Cl)(C=1C=CC=CC1)[H])(C=1C=CC=CC1)[H]