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

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7-(3-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 8Y8xLn6UcoS
InChI InChI=1S/C28H25BrClN5OS/c1-16-10-11-23(17(2)12-16)32-26(36)24-18(3)31-27-33-28(37-15-19-6-4-9-22(30)13-19)34-35(27)25(24)20-7-5-8-21(29)14-20/h4-14,25H,15H2,1-3H3,(H,32,36)(H,31,33,34)
InChIKey ZONHNFGPXKSSPW-UHFFFAOYSA-N
Mol Weight 594.96 g/mol
Molecular Formula C28H25BrClN5OS
Exact Mass 593.065172 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Wyy5Teechq
Name 7-(3-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-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 593.065172318 u
Formula C28H25BrClN5OS
InChI InChI=1S/C28H25BrClN5OS/c1-16-10-11-23(17(2)12-16)32-26(36)24-18(3)31-27-33-28(37-15-19-6-4-9-22(30)13-19)34-35(27)25(24)20-7-5-8-21(29)14-20/h4-14,25H,15H2,1-3H3,(H,32,36)(H,31,33,34)
InChIKey ZONHNFGPXKSSPW-UHFFFAOYSA-N
Molecular Weight 594.959 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6682
Solvent DMSO-d6
Source Vendor ID: NMR/12328997