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2-{2-ethoxy-4-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}propanoic acid
SpectraBase Compound ID yJBoVqrKxt
InChI InChI=1S/C21H18N2O5S/c1-3-27-17-10-13(8-9-16(17)28-12(2)20(25)26)11-18-19(24)23-15-7-5-4-6-14(15)22-21(23)29-18/h4-12H,3H2,1-2H3,(H,25,26)/b18-11+
InChIKey VWMBWCXLFRQHFT-WOJGMQOQSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID En4j2s7It0v
Name 2-{2-ethoxy-4-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}propanoic 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/C21H18N2O5S/c1-3-27-17-10-13(8-9-16(17)28-12(2)20(25)26)11-18-19(24)23-15-7-5-4-6-14(15)22-21(23)29-18/h4-12H,3H2,1-2H3,(H,25,26)/b18-11+
InChIKey VWMBWCXLFRQHFT-WOJGMQOQSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13511
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/1010377; UBI_ID: UBI-013514
Synonyms 2-{2-ethoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}propanoic acid
Temperature 300 °C