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3-(2-chlorophenyl)-5-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-isoxazolecarboxamide
SpectraBase Compound ID 4TEeqnACtAt
InChI InChI=1S/C19H14ClN3O4S2/c1-10-16(17(23-27-10)12-5-3-4-6-13(12)20)18(24)22-19-21-14-8-7-11(29(2,25)26)9-15(14)28-19/h3-9H,1-2H3,(H,21,22,24)
InChIKey BBGOCYJOOMOVRJ-UHFFFAOYSA-N
Mol Weight 447.91 g/mol
Molecular Formula C19H14ClN3O4S2
Exact Mass 447.011426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1EG2IIiVDH5
Name 3-(2-chlorophenyl)-5-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-isoxazolecarboxamide
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/C19H14ClN3O4S2/c1-10-16(17(23-27-10)12-5-3-4-6-13(12)20)18(24)22-19-21-14-8-7-11(29(2,25)26)9-15(14)28-19/h3-9H,1-2H3,(H,21,22,24)
InChIKey BBGOCYJOOMOVRJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5108
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: 114799; Labnumber: SERK1-20890; VK_ID: VK-005111
Temperature 308 °C