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4-Cyanophenyl isothiocyanate

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4-Cyanophenyl isothiocyanate
SpectraBase Compound ID FNq4oM5pO3u
InChI InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
InChIKey DZFKAXLNKZXNHD-UHFFFAOYSA-N
Mol Weight 160.19 g/mol
Molecular Formula C8H4N2S
Exact Mass 160.009519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IbvwWlKFHk
Name ISOTHIOCYANIC ACID, p-CYANOPHENYL 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 C8H4N2S
InChI InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
InChIKey DZFKAXLNKZXNHD-UHFFFAOYSA-N
Molecular Weight 160.20
Solvent Chloroform-d; Reference=TMS; Temperature=306 K Spectrometer= Jeol FX-60
Synonyms BENZONITRILE, P-ISOTHIOCYANATO-, ISOTHIOCYANIC ACID, P-CYANOPHENYL ESTER