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2-[3-(Cyanomethyl)phenyl]acetonitrile

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

2-[3-(Cyanomethyl)phenyl]acetonitrile
SpectraBase Compound ID AIGBMfELLsF
InChI InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChIKey GRPFZJNUYXIVSL-UHFFFAOYSA-N
Mol Weight 156.19 g/mol
Molecular Formula C10H8N2
Exact Mass 156.068748 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xfcIcCzCyV
Name 1,3-Phenylenediacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number P23709
CAS Registry Number 626-22-2
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2
InChI 1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChIKey GRPFZJNUYXIVSL-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_012587