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N,N'-Bis[o-(bis(4-trifluoromethylphenyl)phosphino)benzylidene]-(1S,2S)-diaminocyclohexane
SpectraBase Compound ID OxmJDtZR7K
InChI InChI=1S/C48H36F12N2P2/c49-45(50,51)33-13-21-37(22-14-33)63(38-23-15-34(16-24-38)46(52,53)54)43-11-5-1-7-31(43)29-61-41-9-3-4-10-42(41)62-30-32-8-2-6-12-44(32)64(39-25-17-35(18-26-39)47(55,56)57)40-27-19-36(20-28-40)48(58,59)60/h1-2,5-8,11-30,41-42H,3-4,9-10H2/b61-29+,62-30+/t41-,42-/m0/s1
InChIKey WDRJTWXJGBMAHK-XTEBMALISA-N
Mol Weight 930.8 g/mol
Molecular Formula C48H36F12N2P2
Exact Mass 930.216211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHGv9zqslqD
Name N,N'-Bis[o-(bis(4-trifluoromethylphenyl)phosphino)benzylidene]-(1S,2S)-diaminocyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H36F12N2P2
InChI InChI=1S/C48H36F12N2P2/c49-45(50,51)33-13-21-37(22-14-33)63(38-23-15-34(16-24-38)46(52,53)54)43-11-5-1-7-31(43)29-61-41-9-3-4-10-42(41)62-30-32-8-2-6-12-44(32)64(39-25-17-35(18-26-39)47(55,56)57)40-27-19-36(20-28-40)48(58,59)60/h1-2,5-8,11-30,41-42H,3-4,9-10H2/b61-29+,62-30+/t41-,42-/m0/s1
InChIKey WDRJTWXJGBMAHK-XTEBMALISA-N
Molecular Weight 930.758 g/mol
SMILES c1(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c(\C=N\[C@@]2([C@@](\N=C\c3c(P(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)cccc3)(CCCC2)[H])[H])cccc1
SPLASH splash10-00di-0000900400-37d867c897f240aa86b3
Source of Spectrum KD-14-852-1
Synonyms (1E,1S,2E,2S)-1-N,2-N-bis[(2-{bis[4-(trifluoromethyl)phenyl]phosphanyl}phenyl)methylidene]cyclohexane-1,2-diamine
Wiley ID 1635995