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potassium 3-((2Z)-2-[(2Z)-2-(1-ethyl-3-methyl-5-oxo-2-thioxo-4-imidazolidinylidene)ethylidene]-1,3-benzoxazol-3(2H)-yl)propanoate

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potassium 3-((2Z)-2-[(2Z)-2-(1-ethyl-3-methyl-5-oxo-2-thioxo-4-imidazolidinylidene)ethylidene]-1,3-benzoxazol-3(2H)-yl)propanoate
SpectraBase Compound ID 5aqQdE6ls5a
InChI InChI=1S/C18H19N3O4S.K/c1-3-20-17(24)13(19(2)18(20)26)8-9-15-21(11-10-16(22)23)12-6-4-5-7-14(12)25-15;/h4-9H,3,10-11H2,1-2H3,(H,22,23);/q;+1/p-1/b13-8-,15-9-;
InChIKey CKCPFMQSECGYCU-OJHPUASHSA-M
Mol Weight 411.52 g/mol
Molecular Formula C18H18KN3O4S
Exact Mass 411.065509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dwteek9DBhK
Name potassium 3-((2Z)-2-[(2Z)-2-(1-ethyl-3-methyl-5-oxo-2-thioxo-4-imidazolidinylidene)ethylidene]-1,3-benzoxazol-3(2H)-yl)propanoate
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/C18H19N3O4S.K/c1-3-20-17(24)13(19(2)18(20)26)8-9-15-21(11-10-16(22)23)12-6-4-5-7-14(12)25-15;/h4-9H,3,10-11H2,1-2H3,(H,22,23);/q;+1/p-1/b13-8-,15-9-;
InChIKey CKCPFMQSECGYCU-OJHPUASHSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18235
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: 987/00006988; Labnumber: 987/00006988218886; VK_ID: VK-018242
Synonyms potassium 3-(2-[2-(1-ethyl-3-methyl-5-oxo-2-thioxo-4-imidazolidinylidene)ethylidene]-1,3-benzoxazol-3(2H)-yl)propanoate
Temperature 308 °C