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MKXQHXHJJAKVAO-UHFFFAOYSA-N
SpectraBase Compound ID AtMFUWE6oc7
InChI InChI=1S/C18H20N5O3P/c1-4-25-27(24,26-5-2)18-16(19)23-17(20-21-18)15(13(3)22-23)12-11-14-9-7-6-8-10-14/h6-10H,4-5,19H2,1-3H3
InChIKey MKXQHXHJJAKVAO-UHFFFAOYSA-N
Mol Weight 385.36 g/mol
Molecular Formula C18H20N5O3P
Exact Mass 385.130377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xe9EmYzvHs
Name 4-Amino-7-methyl-8-phenylethynylpyrazolo[3,2-c][1,2,4]triazin-3-ylphosphoonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N5O3P
InChI InChI=1S/C18H20N5O3P/c1-4-25-27(24,26-5-2)18-16(19)23-17(20-21-18)15(13(3)22-23)12-11-14-9-7-6-8-10-14/h6-10H,4-5,19H2,1-3H3
InChIKey MKXQHXHJJAKVAO-UHFFFAOYSA-N
Molecular Weight 385.364 g/mol
SMILES NC=1[n]2c(c(C#Cc3ccccc3)c(n2)C)N=NC1P(=O)(OCC)OCC
SPLASH splash10-000i-0439000000-00db6c95be2a961f7d84
Source of Spectrum H1-51-543-21
Synonyms 3-Diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)-4-pyrazolo[5,1-c][1,2,4]triazinamine 3-Diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
Wiley ID 817088