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1-butyl-3-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one

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1-butyl-3-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID 3xv8OY3ciVK
InChI InChI=1S/C13H14F5N3O/c1-3-4-5-21-11-10(7(2)20-21)8(6-9(22)19-11)12(14,15)13(16,17)18/h6H,3-5H2,1-2H3,(H,19,22)
InChIKey IAENOLWDUSOWMV-UHFFFAOYSA-N
Mol Weight 323.27 g/mol
Molecular Formula C13H14F5N3O
Exact Mass 323.105703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDKJdLiXJ3x
Name 1-butyl-3-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
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/C13H14F5N3O/c1-3-4-5-21-11-10(7(2)20-21)8(6-9(22)19-11)12(14,15)13(16,17)18/h6H,3-5H2,1-2H3,(H,19,22)
InChIKey IAENOLWDUSOWMV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32478
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: 1847807; SBI_ID: SBI-032482
Temperature 318 °C