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{3-[(1E)-3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-1H-indol-1-yl}acetic acid
SpectraBase Compound ID 1HK0MYFjzOR
InChI InChI=1S/C20H14BrN3O3/c21-15-4-3-5-16(9-15)23-20(27)13(10-22)8-14-11-24(12-19(25)26)18-7-2-1-6-17(14)18/h1-9,11H,12H2,(H,23,27)(H,25,26)/b13-8+
InChIKey SLRZDLHTRSEMIP-MDWZMJQESA-N
Mol Weight 424.25 g/mol
Molecular Formula C20H14BrN3O3
Exact Mass 423.021854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1fYpcQaIEFJ
Name {3-[(1E)-3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-1H-indol-1-yl}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/C20H14BrN3O3/c21-15-4-3-5-16(9-15)23-20(27)13(10-22)8-14-11-24(12-19(25)26)18-7-2-1-6-17(14)18/h1-9,11H,12H2,(H,23,27)(H,25,26)/b13-8+
InChIKey SLRZDLHTRSEMIP-MDWZMJQESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11850
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: 9676114; UBI_ID: UBI-011853
Synonyms {3-[3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-1H-indol-1-yl}acetic acid
Temperature 318 °C