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4-Methyl-3-nitrobenzonitrile

View entire compound with spectra: 4 NMR, and 1 FTIR

4-Methyl-3-nitrobenzonitrile
SpectraBase Compound ID jvRD6Y5PAp
InChI InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3
InChIKey KOFBNBCOGKLUOM-UHFFFAOYSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H6N2O2
Exact Mass 162.042927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AFC4h6jLSra
Name 4-Methyl-3-nitrobenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 510572
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3
InChIKey KOFBNBCOGKLUOM-UHFFFAOYSA-N
Molecular Weight 162.148 g/mol
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Nitro-p-tolunitrile
Wiley ID SIAL_1HNMR_014849