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3-Acetylbenzonitrile
SpectraBase Compound ID KUdKrgHGF5R
InChI InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey SBCFGFDAZCTSRH-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 EmktEIwXgYy
Name 3-Acetylbenzonitrile
Alternate Name(s) 3'-Cyanoacetophenone 3-Ethanoylbenzenecarbonitrile Benzonitrile, 3-acetyl- m-Cyanoacetophenone
CAS Registry Number 6136-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO
InChI InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey SBCFGFDAZCTSRH-UHFFFAOYSA-N
Molecular Weight 145.161 g/mol
SMILES C(C)(=O)c1cc(ccc1)C#N
SPLASH splash10-001i-0900000000-0da7c84b29a4f04dabba
Source of Spectrum F-69-942-0
Wiley ID 1594621