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4-Acetylphenyl isothiocyanate

View entire compound with spectra: 4 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjgSDkcZYhU
Name ISOTHIOCYANIC ACID, p-ACETYLPHENYL ESTER
Source of Sample R. G. Jones, G. Allen Org. Magn. Resonance 19, 196 (1982)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NOS
InChI InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3
InChIKey KAKXOESNHIUYJT-UHFFFAOYSA-N
Molecular Weight 177.23
Solvent Chloroform-d; Reference=TMS; Temperature=306 K Spectrometer= Jeol FX-60
Synonyms ISOTHIOCYANIC ACID, P-ACETYLPHENYL ESTER ACETOPHENONE, 4'-ISOTHIOCYANATO-,