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N-Phenylbenzamidinium o,o-diisopropyldithiophosphate

View entire compound with spectra: 2 NMR

N-Phenylbenzamidinium o,o-diisopropyldithiophosphate
SpectraBase Compound ID KMbS9RNTUgO
InChI InChI=1S/C13H12N2.C6H15O2PS2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-5(2)7-9(10,11)8-6(3)4/h1-10H,(H2,14,15);5-6H,1-4H3,(H,10,11)
InChIKey ZBJWUKZDIZBBDK-UHFFFAOYSA-N
Mol Weight 410.53 g/mol
Molecular Formula C19H27N2O2PS2
Exact Mass 410.125157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVToj122mkW
Name N-Phenylbenzamidinium o,o-diisopropyldithiophosphate
Comments Computed using HOSE algorithm
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Exact Mass 410.125157461 u
Formula C19H27N2O2PS2
InChI InChI=1S/C13H12N2.C6H15O2PS2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-5(2)7-9(10,11)8-6(3)4/h1-10H,(H2,14,15);5-6H,1-4H3,(H,10,11)
InChIKey ZBJWUKZDIZBBDK-UHFFFAOYSA-N
Molecular Weight 410.531 g/mol
Nominal Mass 410 u
SMILES N([C+](c1ccccc1)N)c1ccccc1.C(OP([S-])(=S)OC(C)C)(C)C