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5,8-DIHYDRO-6,7-DIMETHYL-2,10ANTI-DIPHENYL-5,8-PHOSPHINIDEN-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-1,3(2H)-DIONE-10-OXIDE
SpectraBase Compound ID C9atQjRueJx
InChI InChI=1S/C20H18N3O3P/c1-13-14(2)18-23-20(25)21(15-9-5-3-6-10-15)19(24)22(23)17(13)27(18,26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3/t17-,18+,27+
InChIKey RNVKUKYRPMOGDI-QHESEAGYSA-N
Mol Weight 379.36 g/mol
Molecular Formula C20H18N3O3P
Exact Mass 379.108578 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBQdWMZuHJT
Name 5,8-DIHYDRO-6,7-DIMETHYL-2,10ANTI-DIPHENYL-5,8-PHOSPHINIDEN-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-1,3(2H)-DIONE-10-OXIDE
Comments , CARCAS STRUCTURE;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H18N3O3P
InChI InChI=1S/C20H18N3O3P/c1-13-14(2)18-23-20(25)21(15-9-5-3-6-10-15)19(24)22(23)17(13)27(18,26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3/t17-,18+,27+
InChIKey RNVKUKYRPMOGDI-QHESEAGYSA-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