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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(3,4-dichlorophenyl)-
SpectraBase Compound ID 6bSWwvNFS7u
InChI InChI=1S/C16H11BrCl2FN5O/c17-9-2-1-8(13(20)5-9)7-25-15(21)14(23-24-25)16(26)22-10-3-4-11(18)12(19)6-10/h1-6H,7,21H2,(H,22,26)
InChIKey TZTGJUBIRPXPIN-UHFFFAOYSA-N
Mol Weight 459.11 g/mol
Molecular Formula C16H11BrCl2FN5O
Exact Mass 456.950807 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26YgRIpex60
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(3,4-dichlorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.950806556 u
Formula C16H11BrCl2FN5O
InChI InChI=1S/C16H11BrCl2FN5O/c17-9-2-1-8(13(20)5-9)7-25-15(21)14(23-24-25)16(26)22-10-3-4-11(18)12(19)6-10/h1-6H,7,21H2,(H,22,26)
InChIKey TZTGJUBIRPXPIN-UHFFFAOYSA-N
Molecular Weight 459.106 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6591
Solvent DMSO-d6
Source Vendor ID: NMR/13289995