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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8GcBmx0bK6
Name 3-Cyanophenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 439991
CAS Registry Number 16413-26-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-isocyanatobenzenecarbonitrile Benzonitrile, 3-isocyanato-
Wiley ID SIAL_13CNMR_009658