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benzoic acid, 3-methyl-4-nitro-, 2-ethoxy-4-[(Z)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl ester
SpectraBase Compound ID BnM1f2tohDO
InChI InChI=1S/C20H16N2O6S2/c1-3-27-16-9-12(10-17-18(23)21-20(29)30-17)4-7-15(16)28-19(24)13-5-6-14(22(25)26)11(2)8-13/h4-10H,3H2,1-2H3,(H,21,23,29)/b17-10-
InChIKey WABFJNSEFIDWTL-YVLHZVERSA-N
Mol Weight 444.48 g/mol
Molecular Formula C20H16N2O6S2
Exact Mass 444.044979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QGOutLbBFW
Name benzoic acid, 3-methyl-4-nitro-, 2-ethoxy-4-[(Z)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl ester
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/C20H16N2O6S2/c1-3-27-16-9-12(10-17-18(23)21-20(29)30-17)4-7-15(16)28-19(24)13-5-6-14(22(25)26)11(2)8-13/h4-10H,3H2,1-2H3,(H,21,23,29)/b17-10-
InChIKey WABFJNSEFIDWTL-YVLHZVERSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_561
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: ZI/6054552; Labnumber: SAD-5005
Temperature 303 °C