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4-Acetylphenyl isothiocyanate
SpectraBase Compound ID Ck49CDet6XY
InChI InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3
InChIKey KAKXOESNHIUYJT-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C9H7NOS
Exact Mass 177.024835 g/mol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample R. G. Jones, G. Allen Org. Magn. Resonance 19, 196 (1982)
Solvent Chloroform-d; Reference=TMS; Temperature=306 K Spectrometer= Jeol FX-60
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L11927
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L11927
Technique KBr0
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L11927
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BJO-8-SM20-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CN109608295A
  • 4'-Isothiocyanatoacetophenone
  • KAKXOESNHIUYJT-UHFFFAOYSA-N
  • 4-ACETOPHENYLISOTHIOCYANAT
  • ISOTHIOCYANIC ACID, p-ACETYLPHENYL ESTER
  • ACETOPHENONE, 4'-ISOTHIOCYANATO-,
  • 4-Acethyl-phenylisothiocyanate
  • 1-(4-isothiocyanophenyl)ethane-1-one
Title Journal or Book Year
Carbon-13 NMR spectra of a series ofpara-substituted phenyl isothiocyanates. Linear free energy relationships for carbon-13 substituent chemical shifts Organic Magnetic Resonance 1982

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