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(1S,2S)-2-[N-(2-Hydroxybenzylidene)amino]-1-[N-(2,4,6-trimethylphenylsulfonyl)amino]cyclohexane

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

(1S,2S)-2-[N-(2-Hydroxybenzylidene)amino]-1-[N-(2,4,6-trimethylphenylsulfonyl)amino]cyclohexane
SpectraBase Compound ID 56VPDSCclhV
InChI InChI=1S/C22H28N2O3S/c1-15-12-16(2)22(17(3)13-15)28(26,27)24-20-10-6-5-9-19(20)23-14-18-8-4-7-11-21(18)25/h4,7-8,11-14,19-20,24-25H,5-6,9-10H2,1-3H3/b23-14+/t19-,20-/m0/s1
InChIKey YUDSZWFFVGMHQN-WBUOQYNOSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzUtr7Vt7sM
Name (1S,2S)-2-[N-(2-Hydroxybenzylidene)amino]-1-[N-(2,4,6-trimethylphenylsulfonyl)amino]cyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.182063941 u
Formula C22H28N2O3S
InChI InChI=1S/C22H28N2O3S/c1-15-12-16(2)22(17(3)13-15)28(26,27)24-20-10-6-5-9-19(20)23-14-18-8-4-7-11-21(18)25/h4,7-8,11-14,19-20,24-25H,5-6,9-10H2,1-3H3/b23-14+/t19-,20-/m0/s1
InChIKey YUDSZWFFVGMHQN-WBUOQYNOSA-N
Molecular Weight 400.537 g/mol
SMILES C1(S(N[C@@]2([C@@](\N=C\C=3C(O)=CC=CC3)(CCCC2)[H])[H])(=O)=O)=C(C=C(C=C1C)C)C