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3-{2,5-dimethyl-3-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID IOcEhwq0erW
InChI InChI=1S/C23H17N3O3S/c1-13-10-16(14(2)25(13)17-7-5-6-15(11-17)22(28)29)12-20-21(27)26-19-9-4-3-8-18(19)24-23(26)30-20/h3-12H,1-2H3,(H,28,29)/b20-12+
InChIKey CIUHESIPAWCHNN-UDWIEESQSA-N
Mol Weight 415.47 g/mol
Molecular Formula C23H17N3O3S
Exact Mass 415.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FGnG2oaUgGG
Name 3-{2,5-dimethyl-3-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}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/C23H17N3O3S/c1-13-10-16(14(2)25(13)17-7-5-6-15(11-17)22(28)29)12-20-21(27)26-19-9-4-3-8-18(19)24-23(26)30-20/h3-12H,1-2H3,(H,28,29)/b20-12+
InChIKey CIUHESIPAWCHNN-UDWIEESQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9610
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: 133615; Labnumber: AREF2K-2310; VK_ID: VK-009614
Synonyms 3-{2,5-dimethyl-3-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Temperature 315 °C