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1H-1,2,4-triazol-5-amine, 3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)acetyl]-N-[(4-fluorophenyl)methyl]-
SpectraBase Compound ID 3dhBGbiffbV
InChI InChI=1S/C25H22ClFN4O3/c1-33-21-12-5-17(13-22(21)34-2)14-23(32)31-25(28-15-16-3-10-20(27)11-4-16)29-24(30-31)18-6-8-19(26)9-7-18/h3-13H,14-15H2,1-2H3,(H,28,29,30)
InChIKey OGMXNDKIALPOKP-UHFFFAOYSA-N
Mol Weight 480.93 g/mol
Molecular Formula C25H22ClFN4O3
Exact Mass 480.136446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1pwkxg6vYHO
Name 1H-1,2,4-triazol-5-amine, 3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)acetyl]-N-[(4-fluorophenyl)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.136446444 u
Formula C25H22ClFN4O3
InChI InChI=1S/C25H22ClFN4O3/c1-33-21-12-5-17(13-22(21)34-2)14-23(32)31-25(28-15-16-3-10-20(27)11-4-16)29-24(30-31)18-6-8-19(26)9-7-18/h3-13H,14-15H2,1-2H3,(H,28,29,30)
InChIKey OGMXNDKIALPOKP-UHFFFAOYSA-N
Molecular Weight 480.927 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7778
Solvent DMSO-d6
Source Vendor ID: NMR/13308619