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(1S,2S)-2-[N-(2-Hydroxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
SpectraBase Compound ID 2EcobjIPlTo
InChI InChI=1S/C20H24N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-19-8-4-3-7-18(19)21-14-16-6-2-5-9-20(16)23/h2,5-6,9-14,18-19,22-23H,3-4,7-8H2,1H3/b21-14+/t18-,19-/m0/s1
InChIKey AXOUCRVQNCROPP-NYJBXQQLSA-N
Mol Weight 372.48 g/mol
Molecular Formula C20H24N2O3S
Exact Mass 372.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49gynWyFuXQ
Name (1S,2S)-2-[N-(2-Hydroxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
Comments Computed using HOSE algorithm
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Exact Mass 372.150763812 u
Formula C20H24N2O3S
InChI InChI=1S/C20H24N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-19-8-4-3-7-18(19)21-14-16-6-2-5-9-20(16)23/h2,5-6,9-14,18-19,22-23H,3-4,7-8H2,1H3/b21-14+/t18-,19-/m0/s1
InChIKey AXOUCRVQNCROPP-NYJBXQQLSA-N
Molecular Weight 372.483 g/mol
SMILES [C@]1(NS(C=2C=CC(=CC2)C)(=O)=O)([C@@](\N=C\C2=C(O)C=CC=C2)(CCCC1)[H])[H]