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4-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino}benzoic acid
SpectraBase Compound ID 5swDQdUxOt3
InChI InChI=1S/C18H13N3O2S/c22-17(23)11-5-7-12(8-6-11)20-18-21-16(10-24-18)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H,(H,20,21)(H,22,23)
InChIKey XBQNEVQLNSRAES-UHFFFAOYSA-N
Mol Weight 335.38 g/mol
Molecular Formula C18H13N3O2S
Exact Mass 335.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IRLqnEclX9W
Name 4-{[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino}benzoic acid
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/C18H13N3O2S/c22-17(23)11-5-7-12(8-6-11)20-18-21-16(10-24-18)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H,(H,20,21)(H,22,23)
InChIKey XBQNEVQLNSRAES-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_1983
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: ZI/9043555; Labnumber: MIH-0000857