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2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 3cX3M5T8N0G
InChI InChI=1S/C21H17ClFN3O2/c22-16-9-12(23)5-7-18(16)27-11-13-6-8-19(28-13)20-14-3-1-2-4-17(14)26-21(25)15(20)10-24/h5-9H,1-4,11H2,(H2,25,26)
InChIKey KGNREBJTKPTDKL-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C21H17ClFN3O2
Exact Mass 397.099333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 45FoEA3SkFI
Name 2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
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/C21H17ClFN3O2/c22-16-9-12(23)5-7-18(16)27-11-13-6-8-19(28-13)20-14-3-1-2-4-17(14)26-21(25)15(20)10-24/h5-9H,1-4,11H2,(H2,25,26)
InChIKey KGNREBJTKPTDKL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4099
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: 9317427; UBI_ID: UBI-004100
Temperature 318 °C