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2-[((E)-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 5kkUpykjyOU
InChI InChI=1S/C24H20Br2N2OS/c1-15-6-8-16(9-7-15)14-29-23-20(25)10-17(11-21(23)26)13-28-24-19(12-27)18-4-2-3-5-22(18)30-24/h6-11,13H,2-5,14H2,1H3/b28-13+
InChIKey TXNGBJKWOSYTQC-XODNFHPESA-N
Mol Weight 544.31 g/mol
Molecular Formula C24H20Br2N2OS
Exact Mass 541.96631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kj3GVLNdy6D
Name 2-[((E)-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C24H20Br2N2OS/c1-15-6-8-16(9-7-15)14-29-23-20(25)10-17(11-21(23)26)13-28-24-19(12-27)18-4-2-3-5-22(18)30-24/h6-11,13H,2-5,14H2,1H3/b28-13+
InChIKey TXNGBJKWOSYTQC-XODNFHPESA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3690
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: ZI/7091618; Labnumber: SAD-e900097; IOH_ID: IOH-003691
Synonyms 2-[({3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature 303 °C