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

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ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID Ic1CTbMBlY0
InChI InChI=1S/C22H19ClFN5O4S/c1-3-33-20(30)18-12(2)25-21-26-22(34-11-14-4-7-15(24)10-17(14)23)27-28(21)19(18)13-5-8-16(9-6-13)29(31)32/h4-10,19H,3,11H2,1-2H3,(H,25,26,27)
InChIKey RPQTWTBRSHNUHX-UHFFFAOYSA-N
Mol Weight 503.94 g/mol
Molecular Formula C22H19ClFN5O4S
Exact Mass 503.083031 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4HsH95RLsWQ
Name ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-5-methyl-7-(4-nitrophenyl)-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 503.083031145 u
Formula C22H19ClFN5O4S
InChI InChI=1S/C22H19ClFN5O4S/c1-3-33-20(30)18-12(2)25-21-26-22(34-11-14-4-7-15(24)10-17(14)23)27-28(21)19(18)13-5-8-16(9-6-13)29(31)32/h4-10,19H,3,11H2,1-2H3,(H,25,26,27)
InChIKey RPQTWTBRSHNUHX-UHFFFAOYSA-N
Molecular Weight 503.936 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9904
Solvent DMSO-d6
Source Vendor ID: NMR/13238014