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8-BROMO-4-(4'-CHLOROPHENYL)-7-METHYLPYRAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID KfGzOlUfr03
InChI InChI=1S/C16H17BrClN4O3P/c1-4-24-26(23,25-5-2)16-14(11-6-8-12(18)9-7-11)22-15(19-20-16)13(17)10(3)21-22/h6-9H,4-5H2,1-3H3
InChIKey UGEJNUFNYHMUOY-UHFFFAOYSA-N
Mol Weight 459.67 g/mol
Molecular Formula C16H17BrClN4O3P
Exact Mass 457.991018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwglEao2iUC
Name 8-Bromanyl-4-(4-chlorophenyl)-3-diethoxyphosphoryl-7-methyl-pyrazolo[5,1-c][1,2,4]triazine
Alternate Name(s) 8-Bromo-4-(4-chlorophenyl)-3-diethoxyphosphoryl-7-methyl-pyrazolo[5,1-c][1,2,4]triazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrClN4O3P
InChI InChI=1S/C16H17BrClN4O3P/c1-4-24-26(23,25-5-2)16-14(11-6-8-12(18)9-7-11)22-15(19-20-16)13(17)10(3)21-22/h6-9H,4-5H2,1-3H3
InChIKey UGEJNUFNYHMUOY-UHFFFAOYSA-N
Molecular Weight 459.668 g/mol
SMILES c12[n](C(c3ccc(cc3)Cl)=C(N=N1)P(=O)(OCC)OCC)nc(c2Br)C
SPLASH splash10-0909-3746900000-aec558699d70a510dc13
Source of Spectrum H1-51-539-20
Wiley ID 817094