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benzonitrile, 2-[[2-ethoxy-4-[(E)-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]methyl]-
SpectraBase Compound ID IxzWXynkGuu
InChI InChI=1S/C22H20N2O3S2/c1-3-24-21(25)20(29-22(24)28)12-15-9-10-18(19(11-15)26-4-2)27-14-17-8-6-5-7-16(17)13-23/h5-12H,3-4,14H2,1-2H3/b20-12+
InChIKey HJCBGQWSZFYMIW-UDWIEESQSA-N
Mol Weight 424.53 g/mol
Molecular Formula C22H20N2O3S2
Exact Mass 424.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48pHkvpoG9h
Name benzonitrile, 2-[[2-ethoxy-4-[(E)-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]methyl]-
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/C22H20N2O3S2/c1-3-24-21(25)20(29-22(24)28)12-15-9-10-18(19(11-15)26-4-2)27-14-17-8-6-5-7-16(17)13-23/h5-12H,3-4,14H2,1-2H3/b20-12+
InChIKey HJCBGQWSZFYMIW-UDWIEESQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6819
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: NMR/10278955