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3-isoquinolinecarboxamide, N-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-
SpectraBase Compound ID bMLX3Im84D
InChI InChI=1S/C23H20BrFN2O3S/c24-19-7-5-16(6-8-19)14-26-23(28)22-13-17-3-1-2-4-18(17)15-27(22)31(29,30)21-11-9-20(25)10-12-21/h1-12,22H,13-15H2,(H,26,28)
InChIKey KOZQJSNNRROCTM-UHFFFAOYSA-N
Mol Weight 503.39 g/mol
Molecular Formula C23H20BrFN2O3S
Exact Mass 502.036205 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AE0cjF815YG
Name 3-isoquinolinecarboxamide, N-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-
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/C23H20BrFN2O3S/c24-19-7-5-16(6-8-19)14-26-23(28)22-13-17-3-1-2-4-18(17)15-27(22)31(29,30)21-11-9-20(25)10-12-21/h1-12,22H,13-15H2,(H,26,28)
InChIKey KOZQJSNNRROCTM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_289
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: NMR/11252485; Labnumber: 182