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benzoic acid, 2-[[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 9KYBF4aiqxf
InChI InChI=1S/C20H13ClF2N4O3S/c1-30-19(29)11-5-2-3-6-12(11)25-18(28)14-10-17-24-13(15-7-4-8-31-15)9-16(20(21,22)23)27(17)26-14/h2-10H,1H3,(H,25,28)
InChIKey HKEOBIWSALDRTA-UHFFFAOYSA-N
Mol Weight 462.86 g/mol
Molecular Formula C20H13ClF2N4O3S
Exact Mass 462.036495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DnRDl4QxbTp
Name benzoic acid, 2-[[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-, methyl 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 462.036495492 u
Formula C20H13ClF2N4O3S
InChI InChI=1S/C20H13ClF2N4O3S/c1-30-19(29)11-5-2-3-6-12(11)25-18(28)14-10-17-24-13(15-7-4-8-31-15)9-16(20(21,22)23)27(17)26-14/h2-10H,1H3,(H,25,28)
InChIKey HKEOBIWSALDRTA-UHFFFAOYSA-N
Molecular Weight 462.859 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18283
Solvent DMSO-d6
Source Vendor ID: NMR/11250898; Lab Info: DAL; Lab Number: DAL-idk0403