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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZKLehze31z
Name 2-phenylacetonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 117.057849229 u
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202216160
Molecular Weight 117.151 g/mol
Quality 333
SMILES C=1C=CC=CC1CC#N
SPLASH splash10-014i-6900000000-b0176c6cf19071f43073
Source of Spectrum ACI-62-SM46-6 (DOI: 10.1002/anie.202216160)
Thin-Layer Chromatography 0.33 (pentane/Et2O, 9:1)
Wiley ID 1908426