Debug Info

object
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_id
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JZkfcrfGwoV
spectrumID
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JZkfcrfGwoV
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Mass Spectrum (GC)
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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
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZkfcrfGwoV
Name phenylacetonitrile
Copyright Copyright © 2020-2025 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
Instrument Name Varian 3900
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2958
Molecular Weight 117.151 g/mol
SMILES C(Cc1ccccc1)#N
SPLASH splash10-0gbl-9300000000-58524b9b9dc243a5ebb3
Source of Spectrum SFA-87-2256-phenylacetonitrile
Wiley ID 1840241
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