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5-Nitro-o-tolunitrile

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

5-Nitro-o-tolunitrile
SpectraBase Compound ID 3R73DPPHC7m
InChI InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChIKey XOSDYLFXPMFRGF-UHFFFAOYSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H6N2O2
Exact Mass 162.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8zk6raMm9a
Name 5-Nitro-ortho-tolunitrile
Alternate Name(s) 2-Methyl-5-nitro-benzenecarbonitrile 2-Methyl-5-nitro-benzonitrile Benzonitrile, 2-methyl-5-nitro-
CAS Registry Number 939-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
InChIKey XOSDYLFXPMFRGF-UHFFFAOYSA-N
Molecular Weight 162.148 g/mol
SMILES c1(N(=O)=O)cc(c(cc1)C)C#N
SPLASH splash10-03y0-6900000000-40be3c598349f597e94d
Wiley ID 1488378