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ethyl 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-7-(4-methoxyphenyl)-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-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID H2FixD865oe
InChI InChI=1S/C23H22ClFN4O3S/c1-4-32-21(30)19-13(2)26-22-27-23(33-12-15-5-8-16(25)11-18(15)24)28-29(22)20(19)14-6-9-17(31-3)10-7-14/h5-11,20H,4,12H2,1-3H3,(H,26,27,28)
InChIKey BAHPEHPFMVXYHT-UHFFFAOYSA-N
Mol Weight 488.97 g/mol
Molecular Formula C23H22ClFN4O3S
Exact Mass 488.108518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3T6e8rYXhbl
Name ethyl 2-[(2-chloro-4-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 488.108517618 u
Formula C23H22ClFN4O3S
InChI InChI=1S/C23H22ClFN4O3S/c1-4-32-21(30)19-13(2)26-22-27-23(33-12-15-5-8-16(25)11-18(15)24)28-29(22)20(19)14-6-9-17(31-3)10-7-14/h5-11,20H,4,12H2,1-3H3,(H,26,27,28)
InChIKey BAHPEHPFMVXYHT-UHFFFAOYSA-N
Molecular Weight 488.965 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9900
Solvent DMSO-d6
Source Vendor ID: NMR/13238009