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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 K5T8GGybMK8
Name 2-PHENYLACETONITRIL;2-PHENYLETHANNITRIL
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 S.BRADAMANTE,G.A.PAGANI
Literature Reference Citation J.ORG.CHEM.,45,105(1980)
Literature Reference DOI 10.1021/jo01289a021
Molecular Weight 117.150 g/mol
Solvent DMSO-D6
Source File Reference UWWB34