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Bis-[5'-tert-Butyl-3'-(2"-pyridyl)salicylidene]-(R,R)-1,2-cyclohexanediamine
SpectraBase Compound ID 4DGr5Gq82LZ
InChI InChI=1S/C38H44N4O2/c1-37(2,3)27-19-25(35(43)29(21-27)31-13-9-11-17-39-31)23-41-33-15-7-8-16-34(33)42-24-26-20-28(38(4,5)6)22-30(36(26)44)32-14-10-12-18-40-32/h9-14,17-24,33-34,43-44H,7-8,15-16H2,1-6H3/b41-23+,42-24+/t33-,34-/m1/s1
InChIKey OLLRBTROIASUGY-UWSOUACMSA-N
Mol Weight 588.8 g/mol
Molecular Formula C38H44N4O2
Exact Mass 588.346427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IBarGhDDj7
Name Bis-[5'-tert-Butyl-3'-(2"-pyridyl)salicylidene]-(R,R)-1,2-cyclohexanediamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44N4O2
InChI InChI=1S/C38H44N4O2/c1-37(2,3)27-19-25(35(43)29(21-27)31-13-9-11-17-39-31)23-41-33-15-7-8-16-34(33)42-24-26-20-28(38(4,5)6)22-30(36(26)44)32-14-10-12-18-40-32/h9-14,17-24,33-34,43-44H,7-8,15-16H2,1-6H3/b41-23+,42-24+/t33-,34-/m1/s1
InChIKey OLLRBTROIASUGY-UWSOUACMSA-N
Molecular Weight 588.796 g/mol
SMILES Oc1c(\C=N\[C@]2([C@](\N=C\c3c(c(cc(c3)C(C)(C)C)-c3ncccc3)O)(CCCC2)[H])[H])cc(cc1-c1ncccc1)C(C)(C)C
SPLASH splash10-0ue9-0095030000-7469b834bab8c952204a
Source of Spectrum J-61-8417-16
Synonyms 4-tert-Butyl-2-((E)-{[(1R,2R)-2-({(E)-[5-tert-butyl-2-hydroxy-3-(2-pyridinyl)phenyl]methylidene}amino)cyclohexyl]imino}methyl)-6-(2-pyridinyl)phenol Bis-[5'-tert-Butyl-3'-(2''-pyridyl)salicylidene]-(R,R)-1,2-cyclohexanediamine
Wiley ID 1409225