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(1S,2S)-1-[N-(2,4,6-Triisopropylphenylsulfonyl)amino]-2-[N-(2-hydroxy-3-methoxybenzylidene)amino]cyclohexane
SpectraBase Compound ID 1JTF8v3zJGn
InChI InChI=1S/C29H42N2O4S/c1-18(2)22-15-23(19(3)4)29(24(16-22)20(5)6)36(33,34)31-26-13-9-8-12-25(26)30-17-21-11-10-14-27(35-7)28(21)32/h10-11,14-20,25-26,31-32H,8-9,12-13H2,1-7H3/b30-17+/t25-,26-/m0/s1
InChIKey TZVGDOCSAJVRHX-JFHRRRGDSA-N
Mol Weight 514.7 g/mol
Molecular Formula C29H42N2O4S
Exact Mass 514.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lnTJRwax4t
Name (1S,2S)-1-[N-(2,4,6-Triisopropylphenylsulfonyl)amino]-2-[N-(2-hydroxy-3-methoxybenzylidene)amino]cyclohexane
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Formula C29H42N2O4S
InChI InChI=1S/C29H42N2O4S/c1-18(2)22-15-23(19(3)4)29(24(16-22)20(5)6)36(33,34)31-26-13-9-8-12-25(26)30-17-21-11-10-14-27(35-7)28(21)32/h10-11,14-20,25-26,31-32H,8-9,12-13H2,1-7H3/b30-17+/t25-,26-/m0/s1
InChIKey TZVGDOCSAJVRHX-JFHRRRGDSA-N
Molecular Weight 514.725 g/mol
SMILES N(S(c1c(cc(cc1C(C)C)C(C)C)C(C)C)(=O)=O)[C@@]1([C@@](\N=C\c2c(c(ccc2)OC)O)(CCCC1)[H])[H]
SPLASH splash10-0gvk-2430090000-fabedbd3f31c51669857
Source of Spectrum QC-9-4139-5
Synonyms N-((1S,2S)-2-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}cyclohexyl)-2,4,6-triisopropylbenzenesulfonamide trans-1-[N-(2,4,6-Triisopropylphenylsulfonyl)amino]-2-[N-(2-hydroxy-3-methoxybenzylidene)amino]cyclohexane
Wiley ID 870890