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Benzeneacetonitrile

View entire compound with spectra: 47 NMR, 10 FTIR, 1 Raman, 30 MS (GC), and 2 Near IR

Benzeneacetonitrile
SpectraBase Compound ID IIvwXzLRDGz
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdcT2UTzAjN
Name BENZYLCYANID
CAS Registry Number 140-29-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
Literature Reference Author M.J.SHAPIRO
Literature Reference Citation J.ORG.CHEM.,41,3197(1976)
Literature Reference DOI 10.1021/jo00881a029
Molecular Weight 117.150 g/mol
Solvent CDCl3
Source File Reference UNIW9618