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11-((5Z)-5-{1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid
SpectraBase Compound ID K60mQ3uuMpd
InChI InChI=1S/C32H37N3O6S2/c1-2-41-23-18-16-22(17-19-23)33-26(36)21-35-25-14-11-10-13-24(25)28(30(35)39)29-31(40)34(32(42)43-29)20-12-8-6-4-3-5-7-9-15-27(37)38/h10-11,13-14,16-19H,2-9,12,15,20-21H2,1H3,(H,33,36)(H,37,38)/b29-28-
InChIKey CIKCLTHFSUNMQZ-ZIADKAODSA-N
Mol Weight 623.8 g/mol
Molecular Formula C32H37N3O6S2
Exact Mass 623.212378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTzVuplcLtf
Name 11-((5Z)-5-{1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic 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/C32H37N3O6S2/c1-2-41-23-18-16-22(17-19-23)33-26(36)21-35-25-14-11-10-13-24(25)28(30(35)39)29-31(40)34(32(42)43-29)20-12-8-6-4-3-5-7-9-15-27(37)38/h10-11,13-14,16-19H,2-9,12,15,20-21H2,1H3,(H,33,36)(H,37,38)/b29-28-
InChIKey CIKCLTHFSUNMQZ-ZIADKAODSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2488
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: 111597; Labnumber: EX00115589; VK_ID: VK-002489
Synonyms 11-(5-{1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)undecanoic acid
Temperature 318 °C