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

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ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 71Rvd9CezOO
InChI InChI=1S/C22H19ClF2N4O2S/c1-3-31-20(30)18-12(2)26-21-27-22(32-11-14-6-9-16(25)10-17(14)23)28-29(21)19(18)13-4-7-15(24)8-5-13/h4-10,19H,3,11H2,1-2H3,(H,26,27,28)
InChIKey HGABWUZIGVIAIP-UHFFFAOYSA-N
Mol Weight 476.93 g/mol
Molecular Formula C22H19ClF2N4O2S
Exact Mass 476.088531 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ECQy76cd6CE
Name ethyl 2-[(2-chloro-4-fluorobenzyl)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 476.088531066 u
Formula C22H19ClF2N4O2S
InChI InChI=1S/C22H19ClF2N4O2S/c1-3-31-20(30)18-12(2)26-21-27-22(32-11-14-6-9-16(25)10-17(14)23)28-29(21)19(18)13-4-7-15(24)8-5-13/h4-10,19H,3,11H2,1-2H3,(H,26,27,28)
InChIKey HGABWUZIGVIAIP-UHFFFAOYSA-N
Molecular Weight 476.930 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9901
Solvent DMSO-d6
Source Vendor ID: NMR/13238010