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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-bromophenyl)-
SpectraBase Compound ID H9bT2Jmxrvm
InChI InChI=1S/C16H12Br2FN5O/c17-10-3-5-12(6-4-10)21-16(25)14-15(20)24(23-22-14)8-9-1-2-11(18)7-13(9)19/h1-7H,8,20H2,(H,21,25)
InChIKey YQHAIOXOKIDSKF-UHFFFAOYSA-N
Mol Weight 469.11 g/mol
Molecular Formula C16H12Br2FN5O
Exact Mass 466.939264 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JFLwJgoS8nP
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(4-bromophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.939264188 u
Formula C16H12Br2FN5O
InChI InChI=1S/C16H12Br2FN5O/c17-10-3-5-12(6-4-10)21-16(25)14-15(20)24(23-22-14)8-9-1-2-11(18)7-13(9)19/h1-7H,8,20H2,(H,21,25)
InChIKey YQHAIOXOKIDSKF-UHFFFAOYSA-N
Molecular Weight 469.112 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4278
Solvent DMSO-d6
Source Vendor ID: NMR/13279835