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[4-((E)-{(2Z)-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]acetic acid
SpectraBase Compound ID IgqlOl9XXEf
InChI InChI=1S/C30H27N3O6S/c1-37-22-10-8-21(9-11-22)32-30-33(14-13-20-17-31-24-6-4-3-5-23(20)24)29(36)27(40-30)16-19-7-12-25(26(15-19)38-2)39-18-28(34)35/h3-12,15-17,31H,13-14,18H2,1-2H3,(H,34,35)/b27-16+,32-30-
InChIKey NPIYSQWQBLGPEN-PEJTXYKLSA-N
Mol Weight 557.62 g/mol
Molecular Formula C30H27N3O6S
Exact Mass 557.162057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7LYogQc6mhG
Name [4-((E)-{(2Z)-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]acetic 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/C30H27N3O6S/c1-37-22-10-8-21(9-11-22)32-30-33(14-13-20-17-31-24-6-4-3-5-23(20)24)29(36)27(40-30)16-19-7-12-25(26(15-19)38-2)39-18-28(34)35/h3-12,15-17,31H,13-14,18H2,1-2H3,(H,34,35)/b27-16+,32-30-
InChIKey NPIYSQWQBLGPEN-PEJTXYKLSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13168
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: UZI/1010175; UBI_ID: UBI-013171
Synonyms [4-({3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]acetic acid
Temperature 300 °C