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

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(3-carboxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-5-fluoro-, methyl ester
SpectraBase Compound ID 2ueUWOPqsnW
InChI InChI=1S/C18H15FN2O5S2/c1-26-17(25)15-11(10-7-9(19)4-5-12(10)20-15)8-13-16(24)21(18(27)28-13)6-2-3-14(22)23/h4-5,7-8,20H,2-3,6H2,1H3,(H,22,23)/b13-8+
InChIKey IQVAMPZLTVLXEF-MDWZMJQESA-N
Mol Weight 422.45 g/mol
Molecular Formula C18H15FN2O5S2
Exact Mass 422.040642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C0CeVWxX8SI
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(3-carboxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-5-fluoro-, 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/C18H15FN2O5S2/c1-26-17(25)15-11(10-7-9(19)4-5-12(10)20-15)8-13-16(24)21(18(27)28-13)6-2-3-14(22)23/h4-5,7-8,20H,2-3,6H2,1H3,(H,22,23)/b13-8+
InChIKey IQVAMPZLTVLXEF-MDWZMJQESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8994
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: F33949; Labnumber: EXGOR1-18763