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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiaZtgNxZgc
Name phenylacetonitrile
Source of Sample Kay-Fries, Inc., New York, New York
CAS Registry Number 140-29-4
Comments OCCURS IN GARDEN CRESS; OILY LIQUID WITH AROMATIC ODOR
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Density (20/4C) 1.0157 (Specific Gravity)= (20/20C) 1.0174
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
Instrument Name Varian A-60
Optical Properties Index of Refraction= (20C) 1.5230
Sadtler NMR Number 135M
Solvent CDCl3
Synonyms ACETONITRILE, PHENYL-, BENZYL CYANIDE alpha-TOLUNITRILE BENZENEACETONITRILE
Use USED IN ORGANIC SYNTHESIS