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(1S,2S)-2-[N-(2-Hydroxy-3,5-bis(tert-butyl)benzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
SpectraBase Compound ID KYQv3tQNBpB
InChI InChI=1S/C28H40N2O3S/c1-19-12-14-22(15-13-19)34(32,33)30-25-11-9-8-10-24(25)29-18-20-16-21(27(2,3)4)17-23(26(20)31)28(5,6)7/h12-18,24-25,30-31H,8-11H2,1-7H3/b29-18+/t24-,25-/m0/s1
InChIKey BJJXTWWTIGSUIL-DYDQEDODSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H40N2O3S
Exact Mass 484.275964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uJ0zjctibK
Name (1S,2S)-2-[N-(2-Hydroxy-3,5-bis(tert-butyl)benzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
Alternate Name(s) N-((1S,2S)-2-{[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylidene]amino}cyclohexyl)-4-methylbenzenesulfonamide trans-2-[N-(2-Hydroxy-3,5-bis(tert-butyl)benzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
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Formula C28H40N2O3S
InChI InChI=1S/C28H40N2O3S/c1-19-12-14-22(15-13-19)34(32,33)30-25-11-9-8-10-24(25)29-18-20-16-21(27(2,3)4)17-23(26(20)31)28(5,6)7/h12-18,24-25,30-31H,8-11H2,1-7H3/b29-18+/t24-,25-/m0/s1
InChIKey BJJXTWWTIGSUIL-DYDQEDODSA-N
Molecular Weight 484.699 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]1([C@@](\N=C\c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)(CCCC1)[H])[H]
SPLASH splash10-00lr-0000900000-df2306e919823800510f
Source of Spectrum QC-9-4141-7
Wiley ID 870883