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3-DIETHYLPHOSPHONATO-4-HYDROXY-4-PHENYLPYRAZOLO-[3,2-C]-[2-H,5-H]-[1,2,4]-TRIAZIN-8-YLCARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 9dzFQXeJpiy
InChI InChI=1S/C18H23N4O6P/c1-4-26-16(23)14-12-19-22-15(14)20-21-17(29(25,27-5-2)28-6-3)18(22,24)13-10-8-7-9-11-13/h7-12,20,24H,4-6H2,1-3H3
InChIKey CCDDODXROPWUSO-UHFFFAOYSA-N
Mol Weight 422.38 g/mol
Molecular Formula C18H23N4O6P
Exact Mass 422.135521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lt2hu9W4kEN
Name 3-Diethylphosphonsato-4-hydroxy-4-phenylpyrazolo[3,2-c][2H,5H][1,2,4]triazin-8-ylcarbonic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N4O6P
InChI InChI=1S/C18H23N4O6P/c1-4-26-16(23)14-12-19-22-15(14)20-21-17(29(25,27-5-2)28-6-3)18(22,24)13-10-8-7-9-11-13/h7-12,20,24H,4-6H2,1-3H3
InChIKey CCDDODXROPWUSO-UHFFFAOYSA-N
Molecular Weight 422.378 g/mol
SMILES N1c2[n](C(C(P(=O)(OCC)OCC)=N1)(c1ccccc1)O)ncc2C(=O)OCC
SPLASH splash10-0a4i-1920100000-3656567cd40109135ff3
Source of Spectrum H1-51-537-19
Synonyms 3-Diethylphosphonato-4-hydroxy-4-phenylpyrazolo[3,2-c][2H,5H][1,2,4]triazin-8-ylcarbonic acid ethyl ester Ethyl 3-(diethoxyphosphoryl)-4-hydroxy-4-phenyl-1,4-dihydropyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
Wiley ID 817097