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[TRANS,CIS,CIS-RUCL2(DMSO-S)(CO)(4'-CIS-DPYP)]2

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[TRANS,CIS,CIS-RUCL2(DMSO-S)(CO)(4'-CIS-DPYP)]2
SpectraBase Compound ID 6M3TSbAtMxQ
InChI InChI=1S/2C42H28N6.2C2H7OS.2CO.4ClH.2Ru/c2*1-3-7-27(8-4-1)39-31-11-12-32(45-31)40(28-9-5-2-6-10-28)34-14-16-36(47-34)42(30-21-25-44-26-22-30)38-18-17-37(48-38)41(29-19-23-43-24-20-29)35-15-13-33(39)46-35;2*1-4(2)3;2*1-2;;;;;;/h2*1-26,45,48H;2*4H,1-2H3;;;4*1H;;/q;;;;;;;;;;2*+2/p-4/b2*39-31-,39-33-,40-32-,40-34-,41-35-,41-37-,42-36-,42-38-;;;;;;;;;;
InChIKey WOZUQKJOXXRPDF-HVKXWOKFSA-J
Mol Weight 1789.7 g/mol
Molecular Formula C90H68Cl4N12O4Ru2S2
Exact Mass 1788.176882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8omZWtSoGp
Name [TRANS,CIS,CIS-RUCL2(DMSO-S)(CO)(4'-CIS-DPYP)]2
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C90H68Cl4N12O4Ru2S2
InChI InChI=1S/2C42H28N6.2C2H7OS.2CO.4ClH.2Ru/c2*1-3-7-27(8-4-1)39-31-11-12-32(45-31)40(28-9-5-2-6-10-28)34-14-16-36(47-34)42(30-21-25-44-26-22-30)38-18-17-37(48-38)41(29-19-23-43-24-20-29)35-15-13-33(39)46-35;2*1-4(2)3;2*1-2;;;;;;/h2*1-26,45,48H;2*4H,1-2H3;;;4*1H;;/q;;;;;;;;;;2*+2/p-4/b2*39-31-,39-33-,40-32-,40-34-,41-35-,41-37-,42-36-,42-38-;;;;;;;;;;
InChIKey WOZUQKJOXXRPDF-HVKXWOKFSA-J
Literature Reference Author E.IENGO,E.ZANGRANDO,R.MINATEL,E.ALESSIO
Literature Reference Citation J.AM.CHEM.SOC.,124,1003(2002)
Literature Reference DOI 10.1021/ja016162s
Molecular Weight 1789.680 g/mol
Sample ID 47794
Solvent CDCl3