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3-nitrobenzo[b]thiophene

Compound with spectra: 4 NMR, 2 FTIR, and 1 UV-Vis

3-nitrobenzo[b]thiophene
SpectraBase Compound ID 9XUqwD5Ts7l
InChI InChI=1S/C8H5NO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
InChIKey PIZRWAZBFNMVMW-UHFFFAOYSA-N
Mol Weight 179.19 g/mol
Molecular Formula C8H5NO2S
Exact Mass 179.0041 g/mol

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Dimethyl sulfoxide-d6

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample P. Landis & J. Brennan, Mobil Research & Development Corporation, Princeton, New Jersey
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample P. Landis & J. Brennan, Mobil Research & Development Corporation, Princeton, New Jersey
Technique KBr WAFER

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UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
  • BENZO/B/THIOPHENE, 3-NITRO-,
  • 2-nitrobenzo[b]thiophene
3-(DICHLOROPHOSPHANYL)-BENZO-[B]-THIOPHENE
Benzo[b]thien-3-ylboronic acid
Benzo[b]thiophene-3-acetonitrile
2-(1-Benzothiophene-3-yl)ethylamine
3-Isopropylbenzothiophene
3-ALLYL-2-D-BENZOTHIOPHENE
benzo[b]thiophene-3-ethanol
2-Bromo-1-benzothiophen-3-amine
2-Thiocyanato-benzothiophene
5-BROMOBENZO[b]THIOPHEN-3-AMINE, SULFATE
Title Journal or Book Year
A Novel Approach to the Evaluation of the Importance of Steric and Electronic Effects in SNAr Reactions: A Computational, Thermodynamic and 1H and 13C NMR Study of “Meisenheimer-Type” Adducts in the Benzo[b]thiophene Series European Journal of Organic Chemistry 2010
2-nitrobenzo[b]thiophene
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