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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 6Icc3aysXub
Name 4-Isothiocyanatobenzonitrile
CAS Registry Number 2719-32-6
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
Molecular Weight 160.194 g/mol
SMILES C(c1ccc(cc1)N=C=S)#N
SPLASH splash10-03di-4900000000-7c9ee0f08241864d2648
Source of Spectrum W6-9375-0-0
Synonyms 4-Cyanophenyl isothiocyanate 4-Isothiocyanatobenzenecarbonitrile 4-Isothiocyanatobenzenenitrile p-Cyanophenyl isothiocyanate Benzenenitrile, 4-isothiocyanato- Benzonitrile, 4-isothiocyanato- Isothiocyanic acid, p-cyanophenyl ester BRN 2802621 EINECS 220-323-2
Wiley ID 85071