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3-quinolinecarbonitrile, 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]-
SpectraBase Compound ID H3JPa3M2jyi
InChI InChI=1S/C27H19FN2O3S/c28-18-11-9-16(10-12-18)25-19-6-2-3-7-22(19)30-26(21(25)14-29)34-15-23(31)20-13-17-5-1-4-8-24(17)33-27(20)32/h1,4-5,8-13H,2-3,6-7,15H2
InChIKey DUKMGLQEUQWPHP-UHFFFAOYSA-N
Mol Weight 470.52 g/mol
Molecular Formula C27H19FN2O3S
Exact Mass 470.110042 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J3zq4GydBcd
Name 3-quinolinecarbonitrile, 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]-
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/C27H19FN2O3S/c28-18-11-9-16(10-12-18)25-19-6-2-3-7-22(19)30-26(21(25)14-29)34-15-23(31)20-13-17-5-1-4-8-24(17)33-27(20)32/h1,4-5,8-13H,2-3,6-7,15H2
InChIKey DUKMGLQEUQWPHP-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_3353
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: AG-205/5059402; Labnumber: TSH-1102; IOH_ID: IOH-010356
Temperature 313 °C