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methyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1qL5cTXcZml
InChI InChI=1S/C22H17F3N4O4S/c1-32-21(31)18-11-5-2-3-7-15(11)34-20(18)27-19(30)13-10-17-26-12(14-6-4-8-33-14)9-16(22(23,24)25)29(17)28-13/h4,6,8-10H,2-3,5,7H2,1H3,(H,27,30)
InChIKey KQDROLHHUJAFJQ-UHFFFAOYSA-N
Mol Weight 490.46 g/mol
Molecular Formula C22H17F3N4O4S
Exact Mass 490.092261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5vpK3czok8y
Name methyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-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 490.092260702 u
Formula C22H17F3N4O4S
InChI InChI=1S/C22H17F3N4O4S/c1-32-21(31)18-11-5-2-3-7-15(11)34-20(18)27-19(30)13-10-17-26-12(14-6-4-8-33-14)9-16(22(23,24)25)29(17)28-13/h4,6,8-10H,2-3,5,7H2,1H3,(H,27,30)
InChIKey KQDROLHHUJAFJQ-UHFFFAOYSA-N
Molecular Weight 490.457 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3544
Solvent DMSO-d6
Source Vendor ID: NMR/12289730