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S-(5-ISOPROPYL-6-OXO-1,4,5,6-TETRAHYDRO-1,2,4-TRIAZIN-4-YLMETHYL)-O,O-DIETHYLDITHIOPHOSPHATE
SpectraBase Compound ID DUH100e1qlo
InChI InChI=1S/C11H22N3O3PS2/c1-5-16-18(19,17-6-2)20-8-14-7-12-13-11(15)10(14)9(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKey POZJKFDXZIFMNL-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C11H22N3O3PS2
Exact Mass 339.084021 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yRKieq95Uk
Name S-(5-ISOPROPYL-6-OXO-1,4,5,6-TETRAHYDRO-1,2,4-TRIAZIN-4-YLMETHYL)-O,O-DIETHYLDITHIOPHOSPHATE
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Formula C11H22N3O3PS2
InChI InChI=1S/C11H22N3O3PS2/c1-5-16-18(19,17-6-2)20-8-14-7-12-13-11(15)10(14)9(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKey POZJKFDXZIFMNL-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference ZH.Z.SAPOZHNIKOVA, A.F.PROKOF'EVA, V.N.VOLKOVA, N.N.MEL'NIKOV (1991)Zhurn.Obsch.Khim.(Russ. Lang.): v.61, N11, 2451-2460.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6