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4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile
SpectraBase Compound ID 6Fsiyl1YHJb
InChI InChI=1S/C13H8F5N3O/c1-22-6-2-3-9-7(4-6)10(20)8(5-19)11(21-9)12(14,15)13(16,17)18/h2-4H,1H3,(H2,20,21)
InChIKey UGFPVTSWPQNZMB-UHFFFAOYSA-N
Mol Weight 317.22 g/mol
Molecular Formula C13H8F5N3O
Exact Mass 317.058753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID c0TMPwLhJB
Name 3-quinolinecarbonitrile, 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.058752704 u
Formula C13H8F5N3O
InChI InChI=1S/C13H8F5N3O/c1-22-6-2-3-9-7(4-6)10(20)8(5-19)11(21-9)12(14,15)13(16,17)18/h2-4H,1H3,(H2,20,21)
InChIKey UGFPVTSWPQNZMB-UHFFFAOYSA-N
Molecular Weight 317.219 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15523
Solvent DMSO-d6
Source Vendor ID: ZI/10038630; Lab Info: SIZ; Lab Number: SIZ-0417036