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6-fluoro-1-{[5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-2-methyl-1,2,3,4-tetrahydroquinoline

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6-fluoro-1-{[5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-2-methyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID 82TBv9bpm75
InChI InChI=1S/C25H17F7N4O/c1-13-2-3-15-10-17(27)8-9-20(15)35(13)23(37)19-12-22-33-18(14-4-6-16(26)7-5-14)11-21(36(22)34-19)24(28,29)25(30,31)32/h4-13H,2-3H2,1H3
InChIKey CDKCJOIGCVPUAC-UHFFFAOYSA-N
Mol Weight 522.43 g/mol
Molecular Formula C25H17F7N4O
Exact Mass 522.129058 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQjBpn75AiQ
Name 6-fluoro-1-{[5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-2-methyl-1,2,3,4-tetrahydroquinoline
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H17F7N4O/c1-13-2-3-15-10-17(27)8-9-20(15)35(13)23(37)19-12-22-33-18(14-4-6-16(26)7-5-14)11-21(36(22)34-19)24(28,29)25(30,31)32/h4-13H,2-3H2,1H3
InChIKey CDKCJOIGCVPUAC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1365
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1199336; Labnumber: AC-NHALL/1287553; UZI_ID: UZI-001367
Temperature 308 °C