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1H-pyrazole-4-carboxylic acid, 5-[[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-1-phenyl-, ethyl ester
SpectraBase Compound ID 6hzWR7DoinN
InChI InChI=1S/C24H17ClF2N6O3S/c1-2-36-23(35)15-13-28-32(14-7-4-3-5-8-14)21(15)30-22(34)17-12-20-29-16(18-9-6-10-37-18)11-19(24(25,26)27)33(20)31-17/h3-13H,2H2,1H3,(H,30,34)
InChIKey HJSKVKWPSZJROK-UHFFFAOYSA-N
Mol Weight 542.95 g/mol
Molecular Formula C24H17ClF2N6O3S
Exact Mass 542.073944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ga3IY4ZeD9b
Name 1H-pyrazole-4-carboxylic acid, 5-[[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-1-phenyl-, 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 542.073943628 u
Formula C24H17ClF2N6O3S
InChI InChI=1S/C24H17ClF2N6O3S/c1-2-36-23(35)15-13-28-32(14-7-4-3-5-8-14)21(15)30-22(34)17-12-20-29-16(18-9-6-10-37-18)11-19(24(25,26)27)33(20)31-17/h3-13H,2H2,1H3,(H,30,34)
InChIKey HJSKVKWPSZJROK-UHFFFAOYSA-N
Molecular Weight 542.949 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18311
Solvent DMSO-d6
Source Vendor ID: NMR/11250905; Lab Info: DAL; Lab Number: DAL-idk0447