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ethyl 7-(4-bromophenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

View entire compound with spectra: 1 NMR

ethyl 7-(4-bromophenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 241y6cob3Ta
InChI InChI=1S/C24H25BrN4O2S/c1-5-31-22(30)20-16(4)26-23-27-24(32-13-18-7-6-14(2)12-15(18)3)28-29(23)21(20)17-8-10-19(25)11-9-17/h6-12,21H,5,13H2,1-4H3,(H,26,27,28)
InChIKey XYPCQLLMYYPDFG-UHFFFAOYSA-N
Mol Weight 513.45 g/mol
Molecular Formula C24H25BrN4O2S
Exact Mass 512.08816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YAwTxmEOHJ
Name ethyl 7-(4-bromophenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.088160233 u
Formula C24H25BrN4O2S
InChI InChI=1S/C24H25BrN4O2S/c1-5-31-22(30)20-16(4)26-23-27-24(32-13-18-7-6-14(2)12-15(18)3)28-29(23)21(20)17-8-10-19(25)11-9-17/h6-12,21H,5,13H2,1-4H3,(H,26,27,28)
InChIKey XYPCQLLMYYPDFG-UHFFFAOYSA-N
Molecular Weight 513.454 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7148
Solvent DMSO-d6
Source Vendor ID: NMR/12329883