For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1VCQexE4WQY
Name 4-nitrophthalonitrile
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3N3O2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N
Instrument Name Agilent 7890A
Ionization Type EI
Literature Reference DOI 10.1002/open.202200037
Molecular Weight 173.131 g/mol
SMILES c1(cc(c(cc1)C#N)C#N)[N+]([O-])=O
SPLASH splash10-0fb9-7900000000-f4c782046c2edcb9bdb4
Source of Spectrum CHO-11-SM8-Figure S4
Wiley ID 1879645