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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qDRecK0Su
Name 3-Diethoxyphosphoryl-8-iodanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine
Alternate Name(s) 3-Diethoxyphosphoryl-8-iodo-7-methyl-4-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 517.220 g/mol
SMILES c12[n](C(c3ccc(N(=O)=O)cc3)=C(N=N1)P(=O)(OCC)OCC)nc(c2I)C
SPLASH splash10-017r-9357650000-ffa31ba236ac832efc08
Source of Spectrum H1-51-542-20
Wiley ID 817090