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4-cyanophenyl thiocyanate
SpectraBase Compound ID fiDIeuOkTa
InChI InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)11-6-10/h1-4H
InChIKey ASLRIOXPYNPKSU-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 5QS7ZGPf64P
Name 4-cyanophenyl thiocyanate
Appearance Light-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 160.009519311 u
Formula C8H4N2S
GC Column HP-5 (30 m x 320 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)11-6-10/h1-4H
InChIKey ASLRIOXPYNPKSU-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503915
Quality 414
Reported Formula C8H4N2S
SMILES C(#N)C1=CC=C(C=C1)SC#N
SPLASH splash10-03di-1900000000-44a1a53c80c2dfbaafb7
Source of Spectrum QE-21-SM18-1t (DOI: 10.1002/chem.201503915)
Wiley ID 1907348