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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Qk2qLeqVDk
Name 8-BROMO-4-(4'-CHLOROPHENYL)-7-METHYLPYRAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 20D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.ANKENBRAND,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,51,513(1999)
Literature Reference DOI 10.3987/COM-98-8385
Molecular Weight 459.667 g/mol
Solvent CDCl3
Source File Reference UWRU2601