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Isophthalonitrile

View entire compound with spectra: 23 NMR, 6 FTIR, 1 Raman, and 3 MS (GC)

Isophthalonitrile
SpectraBase Compound ID IL9ck6k9FJ2
InChI InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N
Mol Weight 128.13 g/mol
Molecular Formula C8H4N2
Exact Mass 128.037448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PpqHng4lSi
Name 1,3-Benzenedicarbonitrile
CAS Registry Number 626-17-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H4N2
InChI InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference J. Bromilow, R.T. Brownlee, D.J. Craik, M.Sadek, Magn. Res. Chem. 24, 862 (1986)
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3