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

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(4-hydroxyphenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester
SpectraBase Compound ID BGr3M54fAvW
InChI InChI=1S/C21H16N2O5S2/c1-27-13-7-8-14-15(18(20(26)28-2)22-16(14)9-13)10-17-19(25)23(21(29)30-17)11-3-5-12(24)6-4-11/h3-10,22,24H,1-2H3/b17-10+
InChIKey CNMGBDMTRVHFRR-LICLKQGHSA-N
Mol Weight 440.49 g/mol
Molecular Formula C21H16N2O5S2
Exact Mass 440.050064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5FYUbyg0bjG
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(4-hydroxyphenyl)-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/C21H16N2O5S2/c1-27-13-7-8-14-15(18(20(26)28-2)22-16(14)9-13)10-17-19(25)23(21(29)30-17)11-3-5-12(24)6-4-11/h3-10,22,24H,1-2H3/b17-10+
InChIKey CNMGBDMTRVHFRR-LICLKQGHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9004
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: F33969; Labnumber: EXGOR1-19255