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methyl (4-bromo-2-{(E)-[(2Z)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
SpectraBase Compound ID 5rnfTgRJTzF
InChI InChI=1S/C29H24BrN3O4S/c1-36-27(34)18-37-25-12-11-21(30)15-20(25)16-26-28(35)33(29(38-26)32-22-7-3-2-4-8-22)14-13-19-17-31-24-10-6-5-9-23(19)24/h2-12,15-17,31H,13-14,18H2,1H3/b26-16+,32-29-
InChIKey RFZPPRNZFSOMEB-WZDACRMJSA-N
Mol Weight 590.49 g/mol
Molecular Formula C29H24BrN3O4S
Exact Mass 589.06709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IaH1GL7PPQl
Name methyl (4-bromo-2-{(E)-[(2Z)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
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/C29H24BrN3O4S/c1-36-27(34)18-37-25-12-11-21(30)15-20(25)16-26-28(35)33(29(38-26)32-22-7-3-2-4-8-22)14-13-19-17-31-24-10-6-5-9-23(19)24/h2-12,15-17,31H,13-14,18H2,1H3/b26-16+,32-29-
InChIKey RFZPPRNZFSOMEB-WZDACRMJSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14227
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/1011280; UBI_ID: UBI-014230
Synonyms methyl (4-bromo-2-{[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Temperature 300 °C