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4-Nitrophthalonitrile

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 4 MS (GC)

4-Nitrophthalonitrile
SpectraBase Compound ID yzVVD8YKs6
InChI InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N
Mol Weight 173.13 g/mol
Molecular Formula C8H3N3O2
Exact Mass 173.022526 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4qJpjFMhKrL
Name 4-Nitrophthalonitrile
Source of Sample Aldrich
Catalog Number 330590
CAS Registry Number 31643-49-9
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3N3O2
InChI InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N
Purity 99%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_6870