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p-nitrobenzonitrile

View entire compound with spectra: 22 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, and 11 MS (GC)

p-nitrobenzonitrile
SpectraBase Compound ID AZU8Yr4NC7o
InChI InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
InChIKey NKJIFDNZPGLLSH-UHFFFAOYSA-N
Mol Weight 148.12 g/mol
Molecular Formula C7H4N2O2
Exact Mass 148.027277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96jDcsbtdG9
Name Benzonitrile, 4-nitro-
Alternate Name(s) 4-Cyanonitrobenzene 4-Nitro-benzonitrile 4-Nitrobenzenecarbonitrile Benzonitrile, p-nitro- p-Cyanonitrobenzene p-Nitrobenzonitrile AI3-00478 CCRIS 2328 EINECS 210-610-0 NSC 5383
CAS Registry Number 619-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O2
InChI InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
InChIKey NKJIFDNZPGLLSH-UHFFFAOYSA-N
Molecular Weight 148.121 g/mol
SMILES c1(N(=O)=O)ccc(C#N)cc1
SPLASH splash10-0ufr-9300000000-c574d89768656c038ad4
Source of Spectrum W5-6894-0-0
Wiley ID 1145290