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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)-
SpectraBase Compound ID BW3CzyZVApv
InChI InChI=1S/C17H14BrClFN5O2/c1-27-14-5-4-11(19)7-13(14)22-17(26)15-16(21)25(24-23-15)8-9-2-3-10(18)6-12(9)20/h2-7H,8,21H2,1H3,(H,22,26)
InChIKey KZJRQIKMMVNJPZ-UHFFFAOYSA-N
Mol Weight 454.69 g/mol
Molecular Formula C17H14BrClFN5O2
Exact Mass 453.000344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9fezNOpr4zo
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.000343572 u
Formula C17H14BrClFN5O2
InChI InChI=1S/C17H14BrClFN5O2/c1-27-14-5-4-11(19)7-13(14)22-17(26)15-16(21)25(24-23-15)8-9-2-3-10(18)6-12(9)20/h2-7H,8,21H2,1H3,(H,22,26)
InChIKey KZJRQIKMMVNJPZ-UHFFFAOYSA-N
Molecular Weight 454.687 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4279
Solvent DMSO-d6
Source Vendor ID: NMR/13279836