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ENDO-5,9-DIHYDRO-2,6,7-TRIMETHYL-10ANTI-PHENYL-5,8-PHOSPHINIDEN-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-1,3(2H)-DIONE-10-SULPHIDE

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ENDO-5,9-DIHYDRO-2,6,7-TRIMETHYL-10ANTI-PHENYL-5,8-PHOSPHINIDEN-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-1,3(2H)-DIONE-10-SULPHIDE
SpectraBase Compound ID Gwh7vNZ5pEc
InChI InChI=1S/C15H16N3O2PS/c1-9-10(2)13-18-15(20)16(3)14(19)17(18)12(9)21(13,22)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13+,21+
InChIKey YKUMHWFWFHGRTH-ZPEBFHCDSA-N
Mol Weight 333.35 g/mol
Molecular Formula C15H16N3O2PS
Exact Mass 333.070085 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kcw4X9TdCUs
Name ENDO-5,9-DIHYDRO-2,6,7-TRIMETHYL-10ANTI-PHENYL-5,8-PHOSPHINIDEN-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-1,3(2H)-DIONE-10-SULPHIDE
Comments , CARCAS STRUCTURE;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H16N3O2PS
InChI InChI=1S/C15H16N3O2PS/c1-9-10(2)13-18-15(20)16(3)14(19)17(18)12(9)21(13,22)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13+,21+
InChIKey YKUMHWFWFHGRTH-ZPEBFHCDSA-N
Instrument Name SEE COMMENT
Literature Reference R.HUSSONG, H.HEYDT, M.REGITZ (1985) Phosphorus and Sulfur: v.25, N2, 201-212.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d