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(1S,2S)-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane

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(1S,2S)-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
SpectraBase Compound ID 5KiPv8yu3P
InChI InChI=1S/C21H26N2O4S/c1-15-10-12-17(13-11-15)28(25,26)23-19-8-4-3-7-18(19)22-14-16-6-5-9-20(27-2)21(16)24/h5-6,9-14,18-19,23-24H,3-4,7-8H2,1-2H3/b22-14+/t18-,19-/m0/s1
InChIKey OMGTVOBUDGGQFH-ODTZSZHUSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXsDGIJVZGn
Name (1S,2S)-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.161328495 u
Formula C21H26N2O4S
InChI InChI=1S/C21H26N2O4S/c1-15-10-12-17(13-11-15)28(25,26)23-19-8-4-3-7-18(19)22-14-16-6-5-9-20(27-2)21(16)24/h5-6,9-14,18-19,23-24H,3-4,7-8H2,1-2H3/b22-14+/t18-,19-/m0/s1
InChIKey OMGTVOBUDGGQFH-ODTZSZHUSA-N
Molecular Weight 402.509 g/mol
SMILES [C@]1(NS(C2=CC=C(C=C2)C)(=O)=O)([C@@](\N=C\C2=C(C(OC)=CC=C2)O)(CCCC1)[H])[H]