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Tetraphenylphosphonium (Z)-N'-(diisopropoxyphosphorothioyl)-N-(2-(3-(diisopropoxysulfido-lambda5-phosphaneylidene)thioureido)ethyl)carbamimidothioate
SpectraBase Compound ID AO7EGRCNK8d
InChI InChI=1S/2C24H20P.C16H35N4O4P2S4/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11(2)21-25(29,22-12(3)4)19-15(27)17-9-10-18-16(28)20-26(30,23-13(5)6)24-14(7)8/h2*1-20H;11-14H,9-10H2,1-8H3,(H3-,17,18,19,27,28,29,30)/q2*+1;-1/p-1
InChIKey SUPUSHAZAYAACS-UHFFFAOYSA-M
Mol Weight 1215.46 g/mol
Molecular Formula C64H74N4O4P4S4
Exact Mass 1214.35434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37bUDGFWV5m
Name Tetraphenylphosphonium (Z)-N'-(diisopropoxyphosphorothioyl)-N-(2-(3-(diisopropoxysulfido-LAMBDA5-phosphaneylidene)thioureido)ethyl)carbamimidothioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1214.354339563 u
Formula C64H74N4O4P4S4
InChI InChI=1S/2C24H20P.C16H35N4O4P2S4/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11(2)21-25(29,22-12(3)4)19-15(27)17-9-10-18-16(28)20-26(30,23-13(5)6)24-14(7)8/h2*1-20H;11-14H,9-10H2,1-8H3,(H3-,17,18,19,27,28,29,30)/q2*+1;-1/p-1
InChIKey SUPUSHAZAYAACS-UHFFFAOYSA-M
Molecular Weight 1215.455 g/mol
SMILES C1([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1.C(NCCN\C([S-])=N\P(OC(C)C)(=S)OC(C)C)(N=P(OC(C)C)([S-])OC(C)C)=S.C1([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1