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

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-fluorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester
SpectraBase Compound ID 53fiKL8vmhn
InChI InChI=1S/C21H15FN2O4S2/c1-27-11-7-8-12-13(18(20(26)28-2)23-15(12)9-11)10-17-19(25)24(21(29)30-17)16-6-4-3-5-14(16)22/h3-10,23H,1-2H3/b17-10+
InChIKey QTBBSWKJHDDACM-LICLKQGHSA-N
Mol Weight 442.48 g/mol
Molecular Formula C21H15FN2O4S2
Exact Mass 442.045727 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KbQdb3oG45K
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-fluorophenyl)-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/C21H15FN2O4S2/c1-27-11-7-8-12-13(18(20(26)28-2)23-15(12)9-11)10-17-19(25)24(21(29)30-17)16-6-4-3-5-14(16)22/h3-10,23H,1-2H3/b17-10+
InChIKey QTBBSWKJHDDACM-LICLKQGHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9005
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: F33970; Labnumber: EXGOR1-19258