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6-Nitro-o-tolunitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

6-Nitro-o-tolunitrile
SpectraBase Compound ID 5sclLNcaEUA
InChI InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
InChIKey BOTPDHNZLRJZOO-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 3kqrxTybVT4
Name 6-Nitro-o-tolunitrile
CAS Registry Number 1885-76-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
InChIKey BOTPDHNZLRJZOO-UHFFFAOYSA-N
Molecular Weight 162.148 g/mol
SMILES c1(N(=O)=O)c(c(ccc1)C)C#N
SPLASH splash10-000i-9400000000-6823cb1c13c0eeecbbf4
Synonyms 2-Methyl-6-nitro-benzenecarbonitrile 2-Methyl-6-nitro-benzonitrile Benzonitrile, 2-methyl-6-nitro-
Wiley ID 1491783