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2-[(3-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

View entire compound with spectra: 1 NMR

2-[(3-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 8aoFMYrOIYC
InChI InChI=1S/C26H20Cl2FN5OS/c1-15-22(24(35)31-21-11-7-18(27)8-12-21)23(17-5-9-20(29)10-6-17)34-25(30-15)32-26(33-34)36-14-16-3-2-4-19(28)13-16/h2-13,23H,14H2,1H3,(H,31,35)(H,30,32,33)
InChIKey NNKOZMNIVKIAFN-UHFFFAOYSA-N
Mol Weight 540.44 g/mol
Molecular Formula C26H20Cl2FN5OS
Exact Mass 539.074965 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DvLySKD0j6h
Name 2-[(3-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.074965020 u
Formula C26H20Cl2FN5OS
InChI InChI=1S/C26H20Cl2FN5OS/c1-15-22(24(35)31-21-11-7-18(27)8-12-21)23(17-5-9-20(29)10-6-17)34-25(30-15)32-26(33-34)36-14-16-3-2-4-19(28)13-16/h2-13,23H,14H2,1H3,(H,31,35)(H,30,32,33)
InChIKey NNKOZMNIVKIAFN-UHFFFAOYSA-N
Molecular Weight 540.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7994
Solvent DMSO-d6
Source Vendor ID: NMR/13218947