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4-ETHOXY(PARA-CHLOROPHENOXY)THIOPHOSPHORYL-5-METHYL-4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONE
SpectraBase Compound ID IBHaKW4btL3
InChI InChI=1S/C12H15ClN3O3PS/c1-3-18-20(21,16-8-14-15-12(17)9(16)2)19-11-6-4-10(13)5-7-11/h4-9H,3H2,1-2H3,(H,15,17)
InChIKey GKYCBFLJFCZIKS-UHFFFAOYSA-N
Mol Weight 347.76 g/mol
Molecular Formula C12H15ClN3O3PS
Exact Mass 347.026027 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZXe3uJT8KO
Name 4-ETHOXY(PARA-CHLOROPHENOXY)THIOPHOSPHORYL-5-METHYL-4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15ClN3O3PS
InChI InChI=1S/C12H15ClN3O3PS/c1-3-18-20(21,16-8-14-15-12(17)9(16)2)19-11-6-4-10(13)5-7-11/h4-9H,3H2,1-2H3,(H,15,17)
InChIKey GKYCBFLJFCZIKS-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference ZH.Z.SAPOZHNIKOVA, A.F.PROKOF'EVA, V.N.VOLKOVA, V.V.NEGREBETSKY,L.A.POKROVSKAYA, N.N.MEL'NIKOV (1991) Zhurn.Obsch.Khim.(Russ. Lang.): v.61, N2,406-415.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6