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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-chlorophenyl)-
SpectraBase Compound ID 9TOubM2FIyT
InChI InChI=1S/C16H12BrClFN5O/c17-10-2-1-9(13(19)7-10)8-24-15(20)14(22-23-24)16(25)21-12-5-3-11(18)4-6-12/h1-7H,8,20H2,(H,21,25)
InChIKey WDIIZPLGNXAYDQ-UHFFFAOYSA-N
Mol Weight 424.66 g/mol
Molecular Formula C16H12BrClFN5O
Exact Mass 422.989779 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3cBqu3mQ0n5
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-chlorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.989778888 u
Formula C16H12BrClFN5O
InChI InChI=1S/C16H12BrClFN5O/c17-10-2-1-9(13(19)7-10)8-24-15(20)14(22-23-24)16(25)21-12-5-3-11(18)4-6-12/h1-7H,8,20H2,(H,21,25)
InChIKey WDIIZPLGNXAYDQ-UHFFFAOYSA-N
Molecular Weight 424.661 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4281
Solvent DMSO-d6
Source Vendor ID: NMR/13279838