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2-[(5Z)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
SpectraBase Compound ID EvpHwJ4KAh7
InChI InChI=1S/C17H14N2O5S2/c20-14(21)6-5-12(16(23)24)19-15(22)13(26-17(19)25)7-9-8-18-11-4-2-1-3-10(9)11/h1-4,7-8,12,18H,5-6H2,(H,20,21)(H,23,24)/b13-7-
InChIKey VYFSJVGPUYEOJU-QPEQYQDCSA-N
Mol Weight 390.43 g/mol
Molecular Formula C17H14N2O5S2
Exact Mass 390.034414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57VQfcES7SX
Name 2-[(5Z)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
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/C17H14N2O5S2/c20-14(21)6-5-12(16(23)24)19-15(22)13(26-17(19)25)7-9-8-18-11-4-2-1-3-10(9)11/h1-4,7-8,12,18H,5-6H2,(H,20,21)(H,23,24)/b13-7-
InChIKey VYFSJVGPUYEOJU-QPEQYQDCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23723
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: D43248; Labnumber: GORPS-013-4374; SBI_ID: SBI-023727
Synonyms 2-[5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Temperature 318 °C