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p-acetylbenzonitrile
SpectraBase Compound ID 6hqyGqWITEO
InChI InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChIKey NLPHXWGWBKZSJC-UHFFFAOYSA-N
Mol Weight 145.16 g/mol
Molecular Formula C9H7NO
Exact Mass 145.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvSMfuldlt4
Name 4-Acetylbenzonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 145.052763848 u
Formula C9H7NO
InChI InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChIKey NLPHXWGWBKZSJC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710370
Molecular Weight 145.161 g/mol
Quality 379
SMILES C1=CC(=CC=C1C#N)C(=O)C
SPLASH splash10-0f89-3900000000-26e0dad016ad4666d443
Source of Spectrum ACI-57-SM11-4f (DOI: 10.1002/anie.201710370)
Wiley ID 1891143