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4-AMINO-3-DIETHYLPHOSPHONATOPYRAZOLO-[3,2-B]-[1,2,4]-TRIAZIN-8-YL-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 8HnSWCu851K
InChI InChI=1S/C12H18N5O5P/c1-4-20-12(18)8-7-14-17-9(13)11(16-15-10(8)17)23(19,21-5-2)22-6-3/h7H,4-6,13H2,1-3H3
InChIKey XLLPBKPPSSKQIX-UHFFFAOYSA-N
Mol Weight 343.28 g/mol
Molecular Formula C12H18N5O5P
Exact Mass 343.104556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e8m5yjw9o
Name 4-Amino-3-diethoxyphosphoryl-8-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid ethyl ester
Alternate Name(s) 4-Amino-3-diethoxyphosphoryl-pyrazolo[5,1-c][1,2,4]triazine-8-carboxylic acid ethyl ester Ethyl 4-azanyl-3-diethoxyphosphoryl-pyrazolo[5,1-c][1,2,4]triazine-8-carboxylate Ethyl 4-amino-3-diethoxyphosphorylpyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N5O5P
InChI InChI=1S/C12H18N5O5P/c1-4-20-12(18)8-7-14-17-9(13)11(16-15-10(8)17)23(19,21-5-2)22-6-3/h7H,4-6,13H2,1-3H3
InChIKey XLLPBKPPSSKQIX-UHFFFAOYSA-N
Molecular Weight 343.280 g/mol
SMILES NC1=C(N=Nc2[n]1ncc2C(=O)OCC)P(=O)(OCC)OCC
SPLASH splash10-0abj-5591000000-4c23c8c93bf133d10c62
Source of Spectrum H1-51-525-9
Wiley ID 816977