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benzoic acid, 4-[(E)-[3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester

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benzoic acid, 4-[(E)-[3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID JXpbFJ8ahee
InChI InChI=1S/C19H21N3O4S2/c1-20-7-9-21(10-8-20)16(23)12-22-17(24)15(28-19(22)27)11-13-3-5-14(6-4-13)18(25)26-2/h3-6,11H,7-10,12H2,1-2H3/b15-11+
InChIKey ALJVJNKDDJOREH-RVDMUPIBSA-N
Mol Weight 419.51 g/mol
Molecular Formula C19H21N3O4S2
Exact Mass 419.097349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9glJ522oMqE
Name benzoic acid, 4-[(E)-[3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl 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/C19H21N3O4S2/c1-20-7-9-21(10-8-20)16(23)12-22-17(24)15(28-19(22)27)11-13-3-5-14(6-4-13)18(25)26-2/h3-6,11H,7-10,12H2,1-2H3/b15-11+
InChIKey ALJVJNKDDJOREH-RVDMUPIBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_5495
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: F25812; Labnumber: EXGOR1-02405