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1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-5-methoxy-, ethyl ester

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-5-methoxy-, ethyl ester
SpectraBase Compound ID IJv89Q5NOVU
InChI InChI=1S/C19H18N2O6S2/c1-3-27-18(25)16-12(11-8-10(26-2)4-5-13(11)20-16)9-14-17(24)21(19(28)29-14)7-6-15(22)23/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,22,23)/b14-9+
InChIKey FOPHPIYDGQANAK-NTEUORMPSA-N
Mol Weight 434.48 g/mol
Molecular Formula C19H18N2O6S2
Exact Mass 434.060629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVtDOfIBEHz
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-5-methoxy-, ethyl 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/C19H18N2O6S2/c1-3-27-18(25)16-12(11-8-10(26-2)4-5-13(11)20-16)9-14-17(24)21(19(28)29-14)7-6-15(22)23/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,22,23)/b14-9+
InChIKey FOPHPIYDGQANAK-NTEUORMPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7337
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: F30433; Labnumber: EXGOR1-18858