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

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-5-fluoro-, methyl ester
SpectraBase Compound ID JwV8abX8eOy
InChI InChI=1S/C17H13FN2O5S2/c1-25-16(24)14-10(9-6-8(18)2-3-11(9)19-14)7-12-15(23)20(17(26)27-12)5-4-13(21)22/h2-3,6-7,19H,4-5H2,1H3,(H,21,22)/b12-7+
InChIKey JSWRGDYKFSYJND-KPKJPENVSA-N
Mol Weight 408.42 g/mol
Molecular Formula C17H13FN2O5S2
Exact Mass 408.024992 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9bfE9IP8VA9
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(2-carboxyethyl)-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/C17H13FN2O5S2/c1-25-16(24)14-10(9-6-8(18)2-3-11(9)19-14)7-12-15(23)20(17(26)27-12)5-4-13(21)22/h2-3,6-7,19H,4-5H2,1H3,(H,21,22)/b12-7+
InChIKey JSWRGDYKFSYJND-KPKJPENVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7334
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: F30428; Labnumber: EXGOR1-18762