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

View entire compound with spectra: 1 NMR

ethyl 2-[(2,4-dimethylbenzyl)sulfanyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 4WjVpWBDABv
InChI InChI=1S/C24H25FN4O2S/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 OOJFEVCMVIXZSC-UHFFFAOYSA-N
Mol Weight 452.55 g/mol
Molecular Formula C24H25FN4O2S
Exact Mass 452.168225 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hx3V8a04lYa
Name ethyl 2-[(2,4-dimethylbenzyl)sulfanyl]-7-(4-fluorophenyl)-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 452.168225396 u
Formula C24H25FN4O2S
InChI InChI=1S/C24H25FN4O2S/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 OOJFEVCMVIXZSC-UHFFFAOYSA-N
Molecular Weight 452.548 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7588
Solvent DMSO-d6
Source Vendor ID: NMR/12329869