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1H-indole-2-carboxylic acid, 3-[(E)-[3-(3-carboxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(3-carboxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester
SpectraBase Compound ID H52GZF32d3A
InChI InChI=1S/C19H18N2O6S2/c1-26-10-5-6-11-12(16(18(25)27-2)20-13(11)8-10)9-14-17(24)21(19(28)29-14)7-3-4-15(22)23/h5-6,8-9,20H,3-4,7H2,1-2H3,(H,22,23)/b14-9+
InChIKey NMCIEGKXUYZNLY-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 9hQqmEgF7n8
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(3-carboxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, 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/C19H18N2O6S2/c1-26-10-5-6-11-12(16(18(25)27-2)20-13(11)8-10)9-14-17(24)21(19(28)29-14)7-3-4-15(22)23/h5-6,8-9,20H,3-4,7H2,1-2H3,(H,22,23)/b14-9+
InChIKey NMCIEGKXUYZNLY-NTEUORMPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9001
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: F33962; Labnumber: EXGOR1-19234