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2-(3-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-quinolinecarboxamide
SpectraBase Compound ID 9ZvIlgdpl5F
InChI InChI=1S/C26H20BrN3OS/c27-17-8-6-7-16(13-17)23-14-20(18-9-4-5-11-22(18)29-23)25(31)30-26-21(15-28)19-10-2-1-3-12-24(19)32-26/h4-9,11,13-14H,1-3,10,12H2,(H,30,31)
InChIKey IOQKCIKJRWXJMZ-UHFFFAOYSA-N
Mol Weight 502.43 g/mol
Molecular Formula C26H20BrN3OS
Exact Mass 501.051046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BZ5xsjrVOku
Name 2-(3-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-quinolinecarboxamide
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/C26H20BrN3OS/c27-17-8-6-7-16(13-17)23-14-20(18-9-4-5-11-22(18)29-23)25(31)30-26-21(15-28)19-10-2-1-3-12-24(19)32-26/h4-9,11,13-14H,1-3,10,12H2,(H,30,31)
InChIKey IOQKCIKJRWXJMZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8154
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/9027364; UBI_ID: UBI-008157
Temperature 318 °C