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(5Z)-3-cyclopropyl-5-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxybenzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
SpectraBase Compound ID Big3n67ZZTE
InChI InChI=1S/C21H18FN3O5S/c1-29-18-7-2-12(9-16-20(26)24(15-4-5-15)21(31)23-16)8-13(18)11-30-19-10-14(22)3-6-17(19)25(27)28/h2-3,6-10,15H,4-5,11H2,1H3,(H,23,31)/b16-9-
InChIKey VJBKBVYMNFAEKX-SXGWCWSVSA-N
Mol Weight 443.45 g/mol
Molecular Formula C21H18FN3O5S
Exact Mass 443.09512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JIHb1cKd7f3
Name (5Z)-3-cyclopropyl-5-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxybenzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
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/C21H18FN3O5S/c1-29-18-7-2-12(9-16-20(26)24(15-4-5-15)21(31)23-16)8-13(18)11-30-19-10-14(22)3-6-17(19)25(27)28/h2-3,6-10,15H,4-5,11H2,1H3,(H,23,31)/b16-9-
InChIKey VJBKBVYMNFAEKX-SXGWCWSVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29826
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: 1292232; SBI_ID: SBI-029830
Synonyms 3-cyclopropyl-5-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxybenzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Temperature 318 °C