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N-[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxamide
SpectraBase Compound ID EymSIksartV
InChI InChI=1S/C28H26ClN3O2S/c1-16-23(19-11-6-7-13-21(19)31-25(16)17-9-8-10-18(29)15-17)27(34)32-28-24(26(30)33)20-12-4-2-3-5-14-22(20)35-28/h6-11,13,15H,2-5,12,14H2,1H3,(H2,30,33)(H,32,34)
InChIKey REMNOONHTKCEGO-UHFFFAOYSA-N
Mol Weight 504.05 g/mol
Molecular Formula C28H26ClN3O2S
Exact Mass 503.143426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZ8sApwTPey
Name N-[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]-2-(3-chlorophenyl)-3-methyl-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/C28H26ClN3O2S/c1-16-23(19-11-6-7-13-21(19)31-25(16)17-9-8-10-18(29)15-17)27(34)32-28-24(26(30)33)20-12-4-2-3-5-14-22(20)35-28/h6-11,13,15H,2-5,12,14H2,1H3,(H2,30,33)(H,32,34)
InChIKey REMNOONHTKCEGO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1871
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/9433950; Labnumber: AM-AC/0040679; UZI_ID: UZI-001873
Temperature 308 °C