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4-fluorobenzaldehyde O-{[7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime
SpectraBase Compound ID wfWAhtZldL
InChI InChI=1S/C21H16FN7O/c1-14-2-8-17(9-3-14)29-20-18(11-24-29)21-26-19(27-28(21)13-23-20)12-30-25-10-15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3/b25-10+
InChIKey MDJZAXISGZQGIR-KIBLKLHPSA-N
Mol Weight 401.41 g/mol
Molecular Formula C21H16FN7O
Exact Mass 401.140036 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQhTv7krsBM
Name 4-fluorobenzaldehyde O-{[7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime
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/C21H16FN7O/c1-14-2-8-17(9-3-14)29-20-18(11-24-29)21-26-19(27-28(21)13-23-20)12-30-25-10-15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3/b25-10+
InChIKey MDJZAXISGZQGIR-KIBLKLHPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10961
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: E03564; Labnumber: SC_0027-1017; SBI_ID: SBI-010964
Temperature 315 °C