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3-thiazolidineacetic acid, 5-[(5-methoxy-1H-indol-3-yl)methylene]-alpha-[2-(methylthio)ethyl]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID IzY2fOZkqKu
InChI InChI=1S/C18H18N2O4S3/c1-24-11-3-4-13-12(8-11)10(9-19-13)7-15-16(21)20(18(25)27-15)14(17(22)23)5-6-26-2/h3-4,7-9,14,19H,5-6H2,1-2H3,(H,22,23)/b15-7-
InChIKey DFIBZFBWXLUPLY-CHHVJCJISA-N
Mol Weight 422.53 g/mol
Molecular Formula C18H18N2O4S3
Exact Mass 422.042871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3uuUl1iG6VG
Name 3-thiazolidineacetic acid, 5-[(5-methoxy-1H-indol-3-yl)methylene]-alpha-[2-(methylthio)ethyl]-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/C18H18N2O4S3/c1-24-11-3-4-13-12(8-11)10(9-19-13)7-15-16(21)20(18(25)27-15)14(17(22)23)5-6-26-2/h3-4,7-9,14,19H,5-6H2,1-2H3,(H,22,23)/b15-7-
InChIKey DFIBZFBWXLUPLY-CHHVJCJISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4017
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: F19864; Labnumber: EXGOR1-17782