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trans-Bis{O-2,4-di-tert-butylphenyl(4-methoxyphenyldithiophosphonato)-kappaS,S'}bis(3-acetylpyridine-kappaN)nickel(II)
SpectraBase Compound ID GYnk5pd0DWh
InChI InChI=1S/2C21H29O2PS2.2C7H7NO.Ni/c2*1-20(2,3)15-8-13-19(18(14-15)21(4,5)6)23-24(25,26)17-11-9-16(22-7)10-12-17;2*1-6(9)7-3-2-4-8-5-7;/h2*8-14H,1-7H3,(H,25,26);2*2-5H,1H3;/q;;;;+2/p-2
InChIKey LJDTUFPJAHGSCJ-UHFFFAOYSA-L
Mol Weight 1116.06 g/mol
Molecular Formula C56H70N2NiO6P2S4
Exact Mass 1114.294539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62QpCv6oXx2
Name trans-Bis{O-2,4-di-tert-butylphenyl(4-methoxyphenyldithiophosphonato)-kappaS,S'}bis(3-acetylpyridine-kappaN)nickel(II)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H70N2NiO6P2S4
InChI InChI=1S/2C21H29O2PS2.2C7H7NO.Ni/c2*1-20(2,3)15-8-13-19(18(14-15)21(4,5)6)23-24(25,26)17-11-9-16(22-7)10-12-17;2*1-6(9)7-3-2-4-8-5-7;/h2*8-14H,1-7H3,(H,25,26);2*2-5H,1H3;/q;;;;+2/p-2
InChIKey LJDTUFPJAHGSCJ-UHFFFAOYSA-L
Molecular Weight 1116.065 g/mol
SMILES [Ni+2].c1cc(cnc1)C(=O)C.c1ncccc1C(C)=O.c1(P(=S)([S-])Oc2c(cc(cc2)C(C)(C)C)C(C)(C)C)ccc(cc1)OC.c1(P(=S)([S-])Oc2ccc(cc2C(C)(C)C)C(C)(C)C)ccc(cc1)OC
SPLASH splash10-0a4l-6910001020-bc6777393b9abeb9d11d
Source of Spectrum DZ-630-1252-3
Wiley ID 1798578