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Benzeneacetonitrile

View entire compound with spectra: 47 NMR, 10 FTIR, 1 Raman, 29 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 He4Zd8Z4c92
Name PHENYLACETONITRILE
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Boiling Point 233.4C
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Melting Point -24C
Molecular Weight 117.15
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms ACETONITRILE, PHENYL-,