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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZPuEx6yCIH
Name 3-DIETHYLPHOSPHONATO-4-HYDROXY-4-PHENYLPYRAZOLO-[3,2-C]-[2-H,5-H]-[1,2,4]-TRIAZIN-8-YLCARBOXYLIC-ACID-ETHYLESTER
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.ANKENBRAND,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,51,513(1999)
Literature Reference DOI 10.3987/COM-98-8385
Molecular Weight 422.378 g/mol
Solvent DMSO-D6
Source File Reference UWRU2598