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

*Links on SpectraBase are not permalinks.
ethyl 7-(4-bromophenyl)-2-[(2-fluorobenzyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID LAfeycmhuYA
InChI InChI=1S/C22H20BrFN4O2S/c1-3-30-20(29)18-13(2)25-21-26-22(31-12-15-6-4-5-7-17(15)24)27-28(21)19(18)14-8-10-16(23)11-9-14/h4-11,19H,3,12H2,1-2H3,(H,25,26,27)
InChIKey SQRQLZBMHZWERZ-UHFFFAOYSA-N
Mol Weight 503.39 g/mol
Molecular Formula C22H20BrFN4O2S
Exact Mass 502.047438 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 B4RKvAyzi1o
Name ethyl 7-(4-bromophenyl)-2-[(2-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 502.047438235 u
Formula C22H20BrFN4O2S
InChI InChI=1S/C22H20BrFN4O2S/c1-3-30-20(29)18-13(2)25-21-26-22(31-12-15-6-4-5-7-17(15)24)27-28(21)19(18)14-8-10-16(23)11-9-14/h4-11,19H,3,12H2,1-2H3,(H,25,26,27)
InChIKey SQRQLZBMHZWERZ-UHFFFAOYSA-N
Molecular Weight 503.390 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7997
Solvent DMSO-d6
Source Vendor ID: NMR/13218950