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3-Methyl-4-nitrobenzonitrile
SpectraBase Compound ID BU8RQOZ2IX4
InChI InChI=1S/C8H6N2O2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,1H3
InChIKey IHVNKSXTJZNBQA-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 EaunivA95vv
Name 3-Methyl-4-nitrobenzonitrile
CAS Registry Number 96784-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,1H3
InChIKey IHVNKSXTJZNBQA-UHFFFAOYSA-N
Molecular Weight 162.148 g/mol
SMILES Cc1cc(C#N)ccc1N(=O)=O
SPLASH splash10-03y0-9500000000-5af7ff00c45bea726f9c
Source of Spectrum JX-2012-172
Synonyms 3-Methyl-4-nitro-benzenecarbonitrile
Wiley ID 1660619