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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyCNLbJCpQq
Name 4-Cyanophenyl isothiocyanate
Appearance White solid
Copyright Copyright © 2020-2024 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
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 160.194 g/mol
SMILES c1(N=C=S)ccc(cc1)C#N
SPLASH splash10-03di-1900000000-bc81f43f5bab473b220f
Source of Spectrum BJO-8-SM21-21-1
Wiley ID 1867382