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

View entire compound with spectra: 1 NMR

1H-indole-2-carboxylic acid, 5-fluoro-3-[(E)-[3-(4-morpholinyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID HnYifRJ1zBp
InChI InChI=1S/C18H16FN3O4S2/c1-25-17(24)15-12(11-8-10(19)2-3-13(11)20-15)9-14-16(23)22(18(27)28-14)21-4-6-26-7-5-21/h2-3,8-9,20H,4-7H2,1H3/b14-9+
InChIKey BFLVYAANGAMBTB-NTEUORMPSA-N
Mol Weight 421.46 g/mol
Molecular Formula C18H16FN3O4S2
Exact Mass 421.056627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID kPvvcCqnIm
Name 1H-indole-2-carboxylic acid, 5-fluoro-3-[(E)-[3-(4-morpholinyl)-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/C18H16FN3O4S2/c1-25-17(24)15-12(11-8-10(19)2-3-13(11)20-15)9-14-16(23)22(18(27)28-14)21-4-6-26-7-5-21/h2-3,8-9,20H,4-7H2,1H3/b14-9+
InChIKey BFLVYAANGAMBTB-NTEUORMPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7336
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: F30431; Labnumber: EXGOR1-18811