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Diethoxy(triethoxyphosphazo)methylthiophosphonium tetraphenylborate

View entire compound with spectra: 2 NMR

Diethoxy(triethoxyphosphazo)methylthiophosphonium tetraphenylborate
SpectraBase Compound ID LTtziECtonp
InChI InChI=1S/C24H20B.C11H28NO5P2S/c1-5-13-21(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;1-7-13-18(14-8-2,15-9-3)12-19(20-6,16-10-4)17-11-5/h1-20H;7-11H2,1-6H3/q-1;+1
InChIKey MQEVLYMWBJBJGR-UHFFFAOYSA-N
Mol Weight 667.59 g/mol
Molecular Formula C35H48BNO5P2S
Exact Mass 667.282149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqdJqmr6qTv
Name Diethoxy(triethoxyphosphazo)methylthiophosphonium tetraphenylborate
Comments Computed using HOSE algorithm
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Exact Mass 667.282148985 u
Formula C35H48BNO5P2S
InChI InChI=1S/C24H20B.C11H28NO5P2S/c1-5-13-21(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;1-7-13-18(14-8-2,15-9-3)12-19(20-6,16-10-4)17-11-5/h1-20H;7-11H2,1-6H3/q-1;+1
InChIKey MQEVLYMWBJBJGR-UHFFFAOYSA-N
Molecular Weight 667.589 g/mol
SMILES c1([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.CS[P+](N=P(OCC)(OCC)OCC)(OCC)OCC