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o-Tolylacetonitrile

View entire compound with spectra: 6 NMR, 7 FTIR, and 1 Raman

o-Tolylacetonitrile
SpectraBase Compound ID GxAkOyJIdXa
InChI InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3
InChIKey WMGVPDQNPUQRND-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A9tfg4KhCkJ
Name o-Tolylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number M31554
CAS Registry Number 22364-68-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N
InChI InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3
InChIKey WMGVPDQNPUQRND-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Methylbenzyl cyanide; 2-Methylphenylacetonitrile
Wiley ID SIAL_13CNMR_012259