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

View entire compound with spectra: 1 NMR

1H-indole-2-carboxylic acid, 3-[(E)-[3-(1-carboxy-2-methylpropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID AzO8gM1mGKE
InChI InChI=1S/C19H18N2O5S2/c1-9(2)15(17(23)24)21-16(22)13(28-19(21)27)8-11-10-6-4-5-7-12(10)20-14(11)18(25)26-3/h4-9,15,20H,1-3H3,(H,23,24)/b13-8+
InChIKey XOKDJJLUVGFNIQ-MDWZMJQESA-N
Mol Weight 418.48 g/mol
Molecular Formula C19H18N2O5S2
Exact Mass 418.065714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JG3S50wOYuL
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(1-carboxy-2-methylpropyl)-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/C19H18N2O5S2/c1-9(2)15(17(23)24)21-16(22)13(28-19(21)27)8-11-10-6-4-5-7-12(10)20-14(11)18(25)26-3/h4-9,15,20H,1-3H3,(H,23,24)/b13-8+
InChIKey XOKDJJLUVGFNIQ-MDWZMJQESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9011
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: F33979; Labnumber: EXGOR1-19521