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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 JG26H92nQOG
Name Benzyl cyanide
CAS Registry Number 140-29-4
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 Electron Ionization (EI)
Molecular Weight 117.151 g/mol
Nominal Mass 117 u
Quality 1000
Retention Index 901
SMILES C1(=CC=CC=C1)CC#N
SPLASH splash10-014i-9700000000-1286505e5a677a7bdaca
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phenylacetonitrile
Technique GC/MS
Wiley ID DD2024_018524