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

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1H-indole-2-carboxylic acid, 5-fluoro-3-[(E)-[4-oxo-3-(phenylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID FbUeTDejkbs
InChI InChI=1S/C21H15FN2O3S2/c1-27-20(26)18-15(14-9-13(22)7-8-16(14)23-18)10-17-19(25)24(21(28)29-17)11-12-5-3-2-4-6-12/h2-10,23H,11H2,1H3/b17-10+
InChIKey HIJVAZTUPPBCSN-LICLKQGHSA-N
Mol Weight 426.48 g/mol
Molecular Formula C21H15FN2O3S2
Exact Mass 426.050813 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6in1MX9AJNF
Name 1H-indole-2-carboxylic acid, 5-fluoro-3-[(E)-[4-oxo-3-(phenylmethyl)-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/C21H15FN2O3S2/c1-27-20(26)18-15(14-9-13(22)7-8-16(14)23-18)10-17-19(25)24(21(28)29-17)11-12-5-3-2-4-6-12/h2-10,23H,11H2,1H3/b17-10+
InChIKey HIJVAZTUPPBCSN-LICLKQGHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7335
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: F30430; Labnumber: EXGOR1-18805