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2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-bromophenyl benzenesulfonate

View entire compound with spectra: 1 NMR

2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-bromophenyl benzenesulfonate
SpectraBase Compound ID F1ATzixnBOU
InChI InChI=1S/C22H13BrN2O3S2/c23-17-10-11-20(28-30(26,27)18-6-2-1-3-7-18)15(13-17)12-16(14-24)22-25-19-8-4-5-9-21(19)29-22/h1-13H/b16-12+
InChIKey OWOMJNYTRUHPOU-FOWTUZBSSA-N
Mol Weight 497.38 g/mol
Molecular Formula C22H13BrN2O3S2
Exact Mass 495.955098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID aINll7XTtv
Name 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-bromophenyl benzenesulfonate
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/C22H13BrN2O3S2/c23-17-10-11-20(28-30(26,27)18-6-2-1-3-7-18)15(13-17)12-16(14-24)22-25-19-8-4-5-9-21(19)29-22/h1-13H/b16-12+
InChIKey OWOMJNYTRUHPOU-FOWTUZBSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9618
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/1009605; UBI_ID: UBI-009621
Synonyms 2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-bromophenyl benzenesulfonate
Temperature 315 °C