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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 CNLHESiZypG
Name 4-ACETOPHENYLISOTHIOCYANAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author R.G.JONES,G.ALLEN
Literature Reference Citation ORG.MAGN.RES.,19,196(1982)
Literature Reference DOI 10.1002/mrc.1270190408
Molecular Weight 177.221 g/mol
Solvent CDCl3
Source File Reference UNIW2699