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1H-indole-2-carboxylic acid, 3-[(E)-[3-(4-carboxyphenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID DPWvGZ3LM5X
InChI InChI=1S/C21H14N2O5S2/c1-28-20(27)17-14(13-4-2-3-5-15(13)22-17)10-16-18(24)23(21(29)30-16)12-8-6-11(7-9-12)19(25)26/h2-10,22H,1H3,(H,25,26)/b16-10+
InChIKey ZYIJZYQMDHLRTD-MHWRWJLKSA-N
Mol Weight 438.47 g/mol
Molecular Formula C21H14N2O5S2
Exact Mass 438.034414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ci46nYN4XrE
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(4-carboxyphenyl)-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/C21H14N2O5S2/c1-28-20(27)17-14(13-4-2-3-5-15(13)22-17)10-16-18(24)23(21(29)30-16)12-8-6-11(7-9-12)19(25)26/h2-10,22H,1H3,(H,25,26)/b16-10+
InChIKey ZYIJZYQMDHLRTD-MHWRWJLKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7341
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: F30440; Labnumber: EXGOR1-19535