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cis-{(E)-2-Methoxy-5-[3'-oxo-3'-(3'',4'',5''-trimethoxyphenyl)-prop-1'-enyl]-phenyl 6- amino-methylnicotinate}dichloridoplatinum (II)
SpectraBase Compound ID KIuP8aDXpDG
InChI InChI=1S/C26H26N2O7.2ClH.Pt/c1-31-21-10-6-16(11-22(21)35-26(30)17-7-8-19(14-27)28-15-17)5-9-20(29)18-12-23(32-2)25(34-4)24(13-18)33-3;;;/h5-13,15H,14,27H2,1-4H3;2*1H;/q;;;+2/p-2/b9-5+;;;
InChIKey SGKHPEVNRVIWGX-GONNCMOWSA-L
Mol Weight 744.49 g/mol
Molecular Formula C26H26Cl2N2O7Pt
Exact Mass 743.076501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gBOvAAFhEP
Name cis-{(E)-2-Methoxy-5-[3'-oxo-3'-(3'',4'',5''-trimethoxyphenyl)-prop-1'-enyl]-phenyl 6- amino-methylnicotinate}dichloridoplatinum (II)
Appearance Yellow solid
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Formula C26H26Cl2N2O7Pt
InChI InChI=1S/C26H26N2O7.2ClH.Pt/c1-31-21-10-6-16(11-22(21)35-26(30)17-7-8-19(14-27)28-15-17)5-9-20(29)18-12-23(32-2)25(34-4)24(13-18)33-3;;;/h5-13,15H,14,27H2,1-4H3;2*1H;/q;;;+2/p-2/b9-5+;;;
InChIKey SGKHPEVNRVIWGX-GONNCMOWSA-L
Instrument Name VARIAN MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/jm801001d
Molecular Weight 744.492 g/mol
SMILES [Pt](Cl)Cl.NCc1ncc(C(Oc2c(ccc(c2)\C=C\C(=O)c2cc(c(c(c2)OC)OC)OC)OC)=O)cc1
SPLASH splash10-002g-1209000000-ac73425e1ac95db25bc2
Source of Spectrum AF-52-SM7-6a
Wiley ID 1873644