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3-Cyanophenyl isocyanate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

3-Cyanophenyl isocyanate
SpectraBase Compound ID Hvgy9aH9Ila
InChI InChI=1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey NZHPVPMRNASEQK-UHFFFAOYSA-N
Mol Weight 144.13 g/mol
Molecular Formula C8H4N2O
Exact Mass 144.032363 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 60iGg4WBYfu
Name 3-Cyanophenyl isocyanate
Source of Sample Acros Organics
Catalog Number 314180010
Lot Number A0376575
CAS Registry Number 16413-26-6
Color Properties Off-white to light yellow
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2O
InChI InChI=1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey NZHPVPMRNASEQK-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 144.133 g/mol
Physical State Solid
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)