SpectraBase Compound ID | LAJJVfJBC0M |
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InChI | InChI=1S/2C24H20P.C20H35N4O4P2S4/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;1-13(2)25-29(33,26-14(3)4)23-19(31)21-17-11-9-10-12-18(17)22-20(32)24-30(34,27-15(5)6)28-16(7)8/h2*1-20H;9-16H,1-8H3,(H3-,21,22,23,31,32,33,34)/q2*+1;-1/p-1 |
InChIKey | NCOUNRPEGSKCHK-UHFFFAOYSA-M |
Mol Weight | 1263.5 g/mol |
Molecular Formula | C68H74N4O4P4S4 |
Exact Mass | 1262.35434 g/mol |
SpectraBase Spectrum ID | Ep0z01siTKw |
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Name | Tetraphenylphosphonium (Z)-N'-(diisopropoxyphosphorothioyl)-N-(2-(3-(diisopropoxysulfido-lambda5-phosphaneylidene)thioureido)phenyl)carbamimidothioate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C68H74N4O4P4S4 |
InChI | InChI=1S/2C24H20P.C20H35N4O4P2S4/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;1-13(2)25-29(33,26-14(3)4)23-19(31)21-17-11-9-10-12-18(17)22-20(32)24-30(34,27-15(5)6)28-16(7)8/h2*1-20H;9-16H,1-8H3,(H3-,21,22,23,31,32,33,34)/q2*+1;-1/p-1 |
InChIKey | NCOUNRPEGSKCHK-UHFFFAOYSA-M |
Molecular Weight | 1263.499 g/mol |
SMILES | c1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.N(C(N=P(OC(C)C)([S-])OC(C)C)=S)c1ccccc1N\C([S-])=N\P(OC(C)C)(=S)OC(C)C.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
SPLASH | splash10-0059-0001004009-8dfaefd5a48243408f6e |
Source of Spectrum | HAC-21-348-(PPh4)2LVI |
Wiley ID | 1783772 |