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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-
SpectraBase Compound ID 9UC68rSPp9O
InChI InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)
InChIKey RAVNFJBKYUTEIC-UHFFFAOYSA-N
Mol Weight 450.27 g/mol
Molecular Formula C18H17BrFN5O3
Exact Mass 449.049881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GcXtG0dmHZ1
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.049880587 u
Formula C18H17BrFN5O3
InChI InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)
InChIKey RAVNFJBKYUTEIC-UHFFFAOYSA-N
Molecular Weight 450.268 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4312
Solvent DMSO-d6
Source Vendor ID: NMR/13279888