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cis-{(E)-6-[2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-1''-enyl]-phenoxy]hexyl 6-aminomethylnicotinate}dichloridoplatinum (II)
SpectraBase Compound ID 9breWkL7ri7
InChI InChI=1S/C32H38N2O8.2ClH.Pt/c1-37-27-12-10-22(9-11-26(35)24-19-29(38-2)31(40-4)30(20-24)39-3)17-28(27)41-15-7-5-6-8-16-42-32(36)23-13-14-34-25(18-23)21-33;;;/h9-14,17-20H,5-8,15-16,21,33H2,1-4H3;2*1H;/q;;;+2/p-2/b11-9+;;;
InChIKey ZFXIJVNLBNBWAD-OOQPXJNPSA-L
Mol Weight 844.7 g/mol
Molecular Formula C32H38Cl2N2O8Pt
Exact Mass 843.165316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PwKdHuWFAQ
Name cis-{(E)-6-[2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-1''-enyl]-phenoxy]hexyl 6-aminomethylnicotinate}dichloridoplatinum (II)
Appearance Yellow solid
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Formula C32H38Cl2N2O8Pt
InChI InChI=1S/C32H38N2O8.2ClH.Pt/c1-37-27-12-10-22(9-11-26(35)24-19-29(38-2)31(40-4)30(20-24)39-3)17-28(27)41-15-7-5-6-8-16-42-32(36)23-13-14-34-25(18-23)21-33;;;/h9-14,17-20H,5-8,15-16,21,33H2,1-4H3;2*1H;/q;;;+2/p-2/b11-9+;;;
InChIKey ZFXIJVNLBNBWAD-OOQPXJNPSA-L
Instrument Name VARIAN MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/jm801001d
Molecular Weight 844.653 g/mol
SMILES [Pt](Cl)Cl.NCc1cc(C(OCCCCCCOc2c(ccc(c2)\C=C\C(=O)c2cc(c(c(c2)OC)OC)OC)OC)=O)ccn1
SPLASH splash10-0a4s-5903010000-a5bf1b84d7d45cd023e5
Source of Spectrum AF-52-SM8-6c
Wiley ID 1873646