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S-DI(3,5-DIMETHYLPHENYLOXY)THIOPHOSPHORYL-N,N'-DICYCLOHEXYLISOTHIOURIDINIUM TETRAFLUOROBORATE
SpectraBase Compound ID AOMn2kzmBkm
InChI InChI=1S/C29H41N2O2PS2.BF4/c1-21-15-22(2)18-27(17-21)32-34(35,33-28-19-23(3)16-24(4)20-28)36-29(30-25-11-7-5-8-12-25)31-26-13-9-6-10-14-26;2-1(3,4)5/h15-20,25-26H,5-14H2,1-4H3,(H,30,31);/q;-1/p+1
InChIKey NWCGFWKYKKHRKY-UHFFFAOYSA-O
Mol Weight 632.6 g/mol
Molecular Formula C29H42BF4N2O2PS2
Exact Mass 632.245451 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJny8nTqj1M
Name S-DI(3,5-DIMETHYLPHENYLOXY)THIOPHOSPHORYL-N,N'-DICYCLOHEXYLISOTHIOURIDINIUM TETRAFLUOROBORATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H44BF4N2O2PS2
InChI InChI=1S/C29H41N2O2PS2.BF4/c1-21-15-22(2)18-27(17-21)32-34(35,33-28-19-23(3)16-24(4)20-28)36-29(30-25-11-7-5-8-12-25)31-26-13-9-6-10-14-26;2-1(3,4)5/h15-20,25-26H,5-14H2,1-4H3,(H,30,31);/q;-1/p+1
InChIKey NWCGFWKYKKHRKY-UHFFFAOYSA-O
Instrument Name Bruker WH-90
Literature Reference G.ETEMAD-MOGHADAM, C.BLONSKI, M.B.GASC, J.J.PERIE, A.KLAEBE (1983) Phosphorusand Sulfur: v.14, N3, 367-375.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported