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2-[[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester

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2-[[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5NNtgkVxWwf
InChI InChI=1S/C21H17ClF2N4O4S/c1-4-31-20(30)17-10(2)11(3)33-19(17)26-18(29)13-9-16-25-12(14-6-5-7-32-14)8-15(21(22,23)24)28(16)27-13/h5-9H,4H2,1-3H3,(H,26,29)
InChIKey DUJMTRRIHBTSDH-UHFFFAOYSA-N
Mol Weight 494.9 g/mol
Molecular Formula C21H17ClF2N4O4S
Exact Mass 494.06271 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kk54suJoO3P
Name 3-thiophenecarboxylic acid, 2-[[[7-(chlorodifluoromethyl)-5-(2-furanyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5-dimethyl-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.062710239 u
Formula C21H17ClF2N4O4S
InChI InChI=1S/C21H17ClF2N4O4S/c1-4-31-20(30)17-10(2)11(3)33-19(17)26-18(29)13-9-16-25-12(14-6-5-7-32-14)8-15(21(22,23)24)28(16)27-13/h5-9H,4H2,1-3H3,(H,26,29)
InChIKey DUJMTRRIHBTSDH-UHFFFAOYSA-N
Molecular Weight 494.901 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18285
Solvent DMSO-d6
Source Vendor ID: NMR/11250872; Lab Info: DAL; Lab Number: DAL-idk0208