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TRANS-6,6-BIS(DIMETHYLAMINO)-2,4-DIOXO-2-PARA-CHLOROPHENYL-4-ORTHO-CHLOROPHENYL-1,3,5,2,4,6-TRIAZADITHIAPHOSPHORIN
SpectraBase Compound ID KGe3ghO47Iv
InChI InChI=1S/C16H20Cl2N5O2PS2/c1-22(2)26(23(3)4)19-27(24,14-11-9-13(17)10-12-14)21-28(25,20-26)16-8-6-5-7-15(16)18/h5-12H,1-4H3/t27-,28-/m0/s1
InChIKey XHHUGQNMGRCELK-NSOVKSMOSA-N
Mol Weight 480.37 g/mol
Molecular Formula C16H20Cl2N5O2PS2
Exact Mass 479.01731 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wGLbeE2fDa
Name TRANS-6,6-BIS(DIMETHYLAMINO)-2,4-DIOXO-2-PARA-CHLOROPHENYL-4-ORTHO-CHLOROPHENYL-1,3,5,2,4,6-TRIAZADITHIAPHOSPHORIN
Comments , HEXACHLOROCYCLOTRIPHOSPHAZENE: 19.9 FROM H3PO4. 31P-{1H}. `+` AXIS-LOW;FT-283A (NICOLET)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H20Cl2N5O2PS2
InChI InChI=1S/C16H20Cl2N5O2PS2/c1-22(2)26(23(3)4)19-27(24,14-11-9-13(17)10-12-14)21-28(25,20-26)16-8-6-5-7-15(16)18/h5-12H,1-4H3/t27-,28-/m0/s1
InChIKey XHHUGQNMGRCELK-NSOVKSMOSA-N
Instrument Name SEE COMMENT
Literature Reference F.J.VIERSEN, E.BOSMA, B.DE RUITER, K.S.DHATHATHREYAN, J.C.VAN DE GRAMPEL, F.VANBOLHUIS (1986) Phosphorus and Sulfur: v.26, N3, 285-292.
NMR Standard (NPCl2)3 hexachloroc
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d