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3-keto-4-phenyl-butyronitrile

View entire compound with spectra: 2 MS (GC)

3-keto-4-phenyl-butyronitrile
SpectraBase Compound ID CjmbFWEEZio
InChI InChI=1S/C10H9NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5H,6,8H2
InChIKey MGPKTKXUWSVAMY-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qUobucgcK1
Name 3-keto-4-phenyl-butyronitrile
Alternate Name(s) 3-Oxidanylidene-4-phenyl-butanenitrile 3-Oxo-4-phenyl-butanenitrile 3-Oxo-4-phenylbutyronitrile
CAS Registry Number 19212-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO
InChI InChI=1S/C10H9NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5H,6,8H2
InChIKey MGPKTKXUWSVAMY-UHFFFAOYSA-N
Molecular Weight 159.188 g/mol
SMILES c1cc(ccc1)CC(CC#N)=O
SPLASH splash10-0006-9100000000-ca41b24020819bee0aa3
Wiley ID 1477028