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4-fluorobenzaldehyde O-[(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]oxime
SpectraBase Compound ID FXbhryNTpdv
InChI InChI=1S/C21H16FN7O/c22-17-8-6-15(7-9-17)10-25-30-13-19-26-21-18-11-24-28(12-16-4-2-1-3-5-16)20(18)23-14-29(21)27-19/h1-11,14H,12-13H2/b25-10+
InChIKey NBSZDSFTDKCQHL-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 HCPpyruiinj
Name 4-fluorobenzaldehyde O-[(7-benzyl-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/c22-17-8-6-15(7-9-17)10-25-30-13-19-26-21-18-11-24-28(12-16-4-2-1-3-5-16)20(18)23-14-29(21)27-19/h1-11,14H,12-13H2/b25-10+
InChIKey NBSZDSFTDKCQHL-KIBLKLHPSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10355
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: D79460; Labnumber: SC_0027-1021; SBI_ID: SBI-010358
Temperature 306 °C