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

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2-[(3-chlorobenzyl)sulfanyl]-7-(2-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID JZqHSjZLV5x
InChI InChI=1S/C28H25Cl2N5OS/c1-16-11-12-23(17(2)13-16)32-26(36)24-18(3)31-27-33-28(37-15-19-7-6-8-20(29)14-19)34-35(27)25(24)21-9-4-5-10-22(21)30/h4-14,25H,15H2,1-3H3,(H,32,36)(H,31,33,34)
InChIKey YJBMQVJXEIYLCC-UHFFFAOYSA-N
Mol Weight 550.51 g/mol
Molecular Formula C28H25Cl2N5OS
Exact Mass 549.115687 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDzZsSbxpvC
Name 2-[(3-chlorobenzyl)sulfanyl]-7-(2-chlorophenyl)-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 549.115687018 u
Formula C28H25Cl2N5OS
InChI InChI=1S/C28H25Cl2N5OS/c1-16-11-12-23(17(2)13-16)32-26(36)24-18(3)31-27-33-28(37-15-19-7-6-8-20(29)14-19)34-35(27)25(24)21-9-4-5-10-22(21)30/h4-14,25H,15H2,1-3H3,(H,32,36)(H,31,33,34)
InChIKey YJBMQVJXEIYLCC-UHFFFAOYSA-N
Molecular Weight 550.508 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6685
Solvent DMSO-d6
Source Vendor ID: NMR/12329001