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ethyl 2-[(2-fluorobenzyl)sulfanyl]-7-(4-methoxyphenyl)-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-fluorobenzyl)sulfanyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 2gq5mwJlOts
InChI InChI=1S/C23H23FN4O3S/c1-4-31-21(29)19-14(2)25-22-26-23(32-13-16-7-5-6-8-18(16)24)27-28(22)20(19)15-9-11-17(30-3)12-10-15/h5-12,20H,4,13H2,1-3H3,(H,25,26,27)
InChIKey CXCXJLFKUWUMDQ-UHFFFAOYSA-N
Mol Weight 454.52 g/mol
Molecular Formula C23H23FN4O3S
Exact Mass 454.14749 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GtlSHNilYTp
Name ethyl 2-[(2-fluorobenzyl)sulfanyl]-7-(4-methoxyphenyl)-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 454.147489951 u
Formula C23H23FN4O3S
InChI InChI=1S/C23H23FN4O3S/c1-4-31-21(29)19-14(2)25-22-26-23(32-13-16-7-5-6-8-18(16)24)27-28(22)20(19)15-9-11-17(30-3)12-10-15/h5-12,20H,4,13H2,1-3H3,(H,25,26,27)
InChIKey CXCXJLFKUWUMDQ-UHFFFAOYSA-N
Molecular Weight 454.520 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9897
Solvent DMSO-d6
Source Vendor ID: NMR/13238005