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S-(5-ISOPROPYL-6-OXO-4-ETHYLCARBAMOYL-1,4,5,6-TETRAHYDRO-1,2,4-TRIAZIN-1-YLMETHYL)-O,O-DIETHYLDITHIOPHOSPHATE (C-N ISOMER MIXTURE)

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S-(5-ISOPROPYL-6-OXO-4-ETHYLCARBAMOYL-1,4,5,6-TETRAHYDRO-1,2,4-TRIAZIN-1-YLMETHYL)-O,O-DIETHYLDITHIOPHOSPHATE (C-N ISOMER MIXTURE)
SpectraBase Compound ID A4ehhdBbbNz
InChI InChI=1S/C14H27N4O4PS2/c1-6-15-14(20)17-9-16-18(13(19)12(17)11(4)5)10-25-23(24,21-7-2)22-8-3/h9,11-12H,6-8,10H2,1-5H3,(H,15,20)
InChIKey GEVLAKQAJHODOT-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C14H27N4O4PS2
Exact Mass 410.121135 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3KCaFtzAEG
Name S-(5-ISOPROPYL-6-OXO-4-ETHYLCARBAMOYL-1,4,5,6-TETRAHYDRO-1,2,4-TRIAZIN-1-YLMETHYL)-O,O-DIETHYLDITHIOPHOSPHATE (C-N ISOMER MIXTURE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H27N4O4PS2
InChI InChI=1S/C14H27N4O4PS2/c1-6-15-14(20)17-9-16-18(13(19)12(17)11(4)5)10-25-23(24,21-7-2)22-8-3/h9,11-12H,6-8,10H2,1-5H3,(H,15,20)
InChIKey GEVLAKQAJHODOT-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 C6D6 benzene-d6