For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethyl 7-(4-bromophenyl)-2-[(2-chloro-4-fluorobenzyl)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-chloro-4-fluorobenzyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID BGjlwdTtaE5
InChI InChI=1S/C22H19BrClFN4O2S/c1-3-31-20(30)18-12(2)26-21-27-22(32-11-14-6-9-16(25)10-17(14)24)28-29(21)19(18)13-4-7-15(23)8-5-13/h4-10,19H,3,11H2,1-2H3,(H,26,27,28)
InChIKey DWWZVBBSIYDKMY-UHFFFAOYSA-N
Mol Weight 537.84 g/mol
Molecular Formula C22H19BrClFN4O2S
Exact Mass 536.008466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 82cT1NUqJfA
Name ethyl 7-(4-bromophenyl)-2-[(2-chloro-4-fluorobenzyl)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 536.008465903 u
Formula C22H19BrClFN4O2S
InChI InChI=1S/C22H19BrClFN4O2S/c1-3-31-20(30)18-12(2)26-21-27-22(32-11-14-6-9-16(25)10-17(14)24)28-29(21)19(18)13-4-7-15(23)8-5-13/h4-10,19H,3,11H2,1-2H3,(H,26,27,28)
InChIKey DWWZVBBSIYDKMY-UHFFFAOYSA-N
Molecular Weight 537.835 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9902
Solvent DMSO-d6
Source Vendor ID: NMR/13238012