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2-(4-tert-butylphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-quinolinecarboxamide

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2-(4-tert-butylphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-quinolinecarboxamide
SpectraBase Compound ID DnesOHzERlK
InChI InChI=1S/C28H25N3O3S2/c1-28(2,3)18-11-9-17(10-12-18)24-16-21(20-7-5-6-8-22(20)29-24)26(32)31-27-30-23-14-13-19(36(4,33)34)15-25(23)35-27/h5-16H,1-4H3,(H,30,31,32)
InChIKey GRPGPIWAMRZKTO-UHFFFAOYSA-N
Mol Weight 515.65 g/mol
Molecular Formula C28H25N3O3S2
Exact Mass 515.133734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LH6VbFTegLN
Name 2-(4-tert-butylphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-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/C28H25N3O3S2/c1-28(2,3)18-11-9-17(10-12-18)24-16-21(20-7-5-6-8-22(20)29-24)26(32)31-27-30-23-14-13-19(36(4,33)34)15-25(23)35-27/h5-16H,1-4H3,(H,30,31,32)
InChIKey GRPGPIWAMRZKTO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19606
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/9145939; UBI_ID: UBI-019610
Temperature 318 °C