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4-{[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 94BAXE5eqyv
InChI InChI=1S/C21H17FN8O2/c1-12-16(21(31)30(29(12)2)15-6-4-3-5-7-15)24-18-17(23-14-10-8-13(22)9-11-14)25-19-20(26-18)28-32-27-19/h3-11H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKey PJFHNKKDSNQTPS-UHFFFAOYSA-N
Mol Weight 432.42 g/mol
Molecular Formula C21H17FN8O2
Exact Mass 432.14585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K55HEoWyIrd
Name 4-{[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H17FN8O2/c1-12-16(21(31)30(29(12)2)15-6-4-3-5-7-15)24-18-17(23-14-10-8-13(22)9-11-14)25-19-20(26-18)28-32-27-19/h3-11H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKey PJFHNKKDSNQTPS-UHFFFAOYSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1351
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: SAD/5680592; IOH_ID: IOH-001352
Temperature 303 °C