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4H-1,2,4-triazole-3-acetamide, N-[(2,4-difluorophenyl)methyl]-5-(4-pyridinyl)-
SpectraBase Compound ID 9nJ6TmZtvER
InChI InChI=1S/C16H13F2N5O/c17-12-2-1-11(13(18)7-12)9-20-15(24)8-14-21-16(23-22-14)10-3-5-19-6-4-10/h1-7H,8-9H2,(H,20,24)(H,21,22,23)
InChIKey DQSRQGBSHLKIJW-UHFFFAOYSA-N
Mol Weight 329.31 g/mol
Molecular Formula C16H13F2N5O
Exact Mass 329.108816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID MIoINQdeAO
Name 4H-1,2,4-triazole-3-acetamide, N-[(2,4-difluorophenyl)methyl]-5-(4-pyridinyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.108816384 u
Formula C16H13F2N5O
InChI InChI=1S/C16H13F2N5O/c17-12-2-1-11(13(18)7-12)9-20-15(24)8-14-21-16(23-22-14)10-3-5-19-6-4-10/h1-7H,8-9H2,(H,20,24)(H,21,22,23)
InChIKey DQSRQGBSHLKIJW-UHFFFAOYSA-N
Molecular Weight 329.311 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_649
Solvent DMSO-d6
Source Vendor ID: NMR/12270113; Lab Info: L-17,Bogoliubov; Lab Number: NMR/12270113