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N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

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N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
SpectraBase Compound ID 4py7CQcCZjA
InChI InChI=1S/C27H26BrN3O2S2/c1-14-22(25(33)31-26-30-18-10-7-16(28)11-21(18)35-26)23(15-5-8-17(34-4)9-6-15)24-19(29-14)12-27(2,3)13-20(24)32/h5-11,23,29H,12-13H2,1-4H3,(H,30,31,33)
InChIKey AKIJVHRVZOLBHG-UHFFFAOYSA-N
Mol Weight 568.55 g/mol
Molecular Formula C27H26BrN3O2S2
Exact Mass 567.064982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2RUkV8zUAfx
Name N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-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/C27H26BrN3O2S2/c1-14-22(25(33)31-26-30-18-10-7-16(28)11-21(18)35-26)23(15-5-8-17(34-4)9-6-15)24-19(29-14)12-27(2,3)13-20(24)32/h5-11,23,29H,12-13H2,1-4H3,(H,30,31,33)
InChIKey AKIJVHRVZOLBHG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18917
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/9131416; UBI_ID: UBI-018920
Temperature 313 °C