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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LtBLpV1yPE9
Name 2-Methyl-6-nitrobenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 188719
CAS Registry Number 1885-76-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 6-Nitro-o-tolunitrile
Wiley ID SIAL_13CNMR_002494