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{2-methoxy-6-[(E)-(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}acetonitrile
SpectraBase Compound ID dxtQ20Y4MG
InChI InChI=1S/C13H11N3O3S/c1-18-10-4-2-3-8(11(10)19-6-5-14)7-9-12(17)16-13(20)15-9/h2-4,7H,6H2,1H3,(H2,15,16,17,20)/b9-7+
InChIKey MWUMMPHLRQNFQP-VQHVLOKHSA-N
Mol Weight 289.31 g/mol
Molecular Formula C13H11N3O3S
Exact Mass 289.052112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9M33A9NE3KJ
Name {2-methoxy-6-[(E)-(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}acetonitrile
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/C13H11N3O3S/c1-18-10-4-2-3-8(11(10)19-6-5-14)7-9-12(17)16-13(20)15-9/h2-4,7H,6H2,1H3,(H2,15,16,17,20)/b9-7+
InChIKey MWUMMPHLRQNFQP-VQHVLOKHSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15352
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/6217814; UBI_ID: UBI-015355
Synonyms {2-methoxy-6-[(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}acetonitrile
Temperature 313 °C