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3-thiazolidinepropanoic acid, 5-[5-bromo-1,2-dihydro-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)-

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3-thiazolidinepropanoic acid, 5-[5-bromo-1,2-dihydro-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID EgdinbaeA4R
InChI InChI=1S/C22H17BrN2O4S2/c1-12-2-4-13(5-3-12)11-25-16-7-6-14(23)10-15(16)18(20(25)28)19-21(29)24(22(30)31-19)9-8-17(26)27/h2-7,10H,8-9,11H2,1H3,(H,26,27)/b19-18-
InChIKey KFJFJBLJFZZKTB-HNENSFHCSA-N
Mol Weight 517.41 g/mol
Molecular Formula C22H17BrN2O4S2
Exact Mass 515.981312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IJmARuJuFcj
Name 3-thiazolidinepropanoic acid, 5-[5-bromo-1,2-dihydro-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)-
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/C22H17BrN2O4S2/c1-12-2-4-13(5-3-12)11-25-16-7-6-14(23)10-15(16)18(20(25)28)19-21(29)24(22(30)31-19)9-8-17(26)27/h2-7,10H,8-9,11H2,1H3,(H,26,27)/b19-18-
InChIKey KFJFJBLJFZZKTB-HNENSFHCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2813
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: NMR/11248350