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4-Cyanophenyl isothiocyanate

View entire compound with spectra: 6 NMR, 1 FTIR, 1 Raman, and 3 MS (GC)

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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Ge0nsCwwNjK
Name 4-Cyanophenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L10173
Lot Number 90007136
CAS Registry Number 2719-32-6
Color Properties Cream
Copyright Copyright © 2018-2025 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 Bruker Tensor 27 FT-IR
Molecular Weight 160.194 g/mol
Purity 98%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)