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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B5lTW0UaEDj
Name 1,3-Dicyanobenzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 145858
CAS Registry Number 626-17-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isophthalodinitrile Isophthalonitrile
Wiley ID SIAL_13CNMR_001352