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[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]-thiomorpholin-4-yl-methanone
SpectraBase Compound ID AEzSyOUxAWS
InChI InChI=1S/C16H13ClF2N4OS2/c17-16(18,19)13-8-10(12-2-1-5-26-12)20-14-9-11(21-23(13)14)15(24)22-3-6-25-7-4-22/h1-2,5,8-9H,3-4,6-7H2
InChIKey KGEPFCLOWSDBLJ-UHFFFAOYSA-N
Mol Weight 414.88 g/mol
Molecular Formula C16H13ClF2N4OS2
Exact Mass 414.018737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BML5gi5F63H
Name pyrazolo[1,5-a]pyrimidine, 7-(chlorodifluoromethyl)-5-(2-thienyl)-2-(4-thiomorpholinylcarbonyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.018737428 u
Formula C16H13ClF2N4OS2
InChI InChI=1S/C16H13ClF2N4OS2/c17-16(18,19)13-8-10(12-2-1-5-26-12)20-14-9-11(21-23(13)14)15(24)22-3-6-25-7-4-22/h1-2,5,8-9H,3-4,6-7H2
InChIKey KGEPFCLOWSDBLJ-UHFFFAOYSA-N
Molecular Weight 414.877 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18281
Solvent DMSO-d6
Source Vendor ID: NMR/11250892; Lab Info: DAL; Lab Number: DAL-idk0365