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8-IODO-7-METHYL-4-(4'-NITROPHENYL)-PYRAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID FU0P6TZLbqh
InChI InChI=1S/C16H17IN5O5P/c1-4-26-28(25,27-5-2)16-14(11-6-8-12(9-7-11)22(23)24)21-15(18-19-16)13(17)10(3)20-21/h6-9H,4-5H2,1-3H3
InChIKey HVFIXXXYPHSYJD-UHFFFAOYSA-N
Mol Weight 517.22 g/mol
Molecular Formula C16H17IN5O5P
Exact Mass 517.001201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Brm1o5RlUHr
Name 8-IODO-7-METHYL-4-(4'-NITROPHENYL)-PYRAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 20F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17IN5O5P
InChI InChI=1S/C16H17IN5O5P/c1-4-26-28(25,27-5-2)16-14(11-6-8-12(9-7-11)22(23)24)21-15(18-19-16)13(17)10(3)20-21/h6-9H,4-5H2,1-3H3
InChIKey HVFIXXXYPHSYJD-UHFFFAOYSA-N
Literature Reference Author T.ANKENBRAND,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,51,513(1999)
Literature Reference DOI 10.3987/COM-98-8385
Molecular Weight 517.220 g/mol
Solvent CDCl3
Source File Reference UWRU2605