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pentanedioic acid, 2-[(5Z)-5-[(5-methoxy-1H-indol-3-yl)methylene]-4-oxo-2-thioxothiazolidinyl]-
SpectraBase Compound ID 2giLla43kyN
InChI InChI=1S/C18H16N2O6S2/c1-26-10-2-3-12-11(7-10)9(8-19-12)6-14-16(23)20(18(27)28-14)13(17(24)25)4-5-15(21)22/h2-3,6-8,13,19H,4-5H2,1H3,(H,21,22)(H,24,25)/b14-6-
InChIKey IGRNJDQSJVGFTQ-NSIKDUERSA-N
Mol Weight 420.45 g/mol
Molecular Formula C18H16N2O6S2
Exact Mass 420.044979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FAkRZgtJj7O
Name pentanedioic acid, 2-[(5Z)-5-[(5-methoxy-1H-indol-3-yl)methylene]-4-oxo-2-thioxothiazolidinyl]-
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/C18H16N2O6S2/c1-26-10-2-3-12-11(7-10)9(8-19-12)6-14-16(23)20(18(27)28-14)13(17(24)25)4-5-15(21)22/h2-3,6-8,13,19H,4-5H2,1H3,(H,21,22)(H,24,25)/b14-6-
InChIKey IGRNJDQSJVGFTQ-NSIKDUERSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4018
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: F19866; Labnumber: EXGOR1-17786