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2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 1DGLCLPlOuj
InChI InChI=1S/C22H19ClFN3OS/c1-12-13(11-28-19-7-6-14(24)9-17(19)23)8-20(29-12)21-15-4-2-3-5-18(15)27-22(26)16(21)10-25/h6-9H,2-5,11H2,1H3,(H2,26,27)
InChIKey NDUWYESQGCICCE-UHFFFAOYSA-N
Mol Weight 427.93 g/mol
Molecular Formula C22H19ClFN3OS
Exact Mass 427.092139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DtFNR71jzkW
Name 2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-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/C22H19ClFN3OS/c1-12-13(11-28-19-7-6-14(24)9-17(19)23)8-20(29-12)21-15-4-2-3-5-18(15)27-22(26)16(21)10-25/h6-9H,2-5,11H2,1H3,(H2,26,27)
InChIKey NDUWYESQGCICCE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14199
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/1011169; UBI_ID: UBI-014202
Temperature 308 °C