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2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-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-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID AqLn03zKgDC
InChI InChI=1S/C28H25ClN6O3S/c1-16-7-12-23(17(2)13-16)31-26(36)24-18(3)30-27-32-28(39-15-19-5-4-6-21(29)14-19)33-34(27)25(24)20-8-10-22(11-9-20)35(37)38/h4-14,25H,15H2,1-3H3,(H,31,36)(H,30,32,33)
InChIKey BBYLWWIFGGUWTO-UHFFFAOYSA-N
Mol Weight 561.06 g/mol
Molecular Formula C28H25ClN6O3S
Exact Mass 560.139738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3dh0OcuZ1AO
Name 2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-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 560.139737560 u
Formula C28H25ClN6O3S
InChI InChI=1S/C28H25ClN6O3S/c1-16-7-12-23(17(2)13-16)31-26(36)24-18(3)30-27-32-28(39-15-19-5-4-6-21(29)14-19)33-34(27)25(24)20-8-10-22(11-9-20)35(37)38/h4-14,25H,15H2,1-3H3,(H,31,36)(H,30,32,33)
InChIKey BBYLWWIFGGUWTO-UHFFFAOYSA-N
Molecular Weight 561.060 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6688
Solvent DMSO-d6
Source Vendor ID: NMR/12329004