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3-Methyl-4-oxidanylidene-4-phenyl-butanenitrile
SpectraBase Compound ID 4NJ7C3ycGWB
InChI InChI=1S/C11H11NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChIKey HXCPGRBCISMIQZ-UHFFFAOYSA-N
Mol Weight 173.21 g/mol
Molecular Formula C11H11NO
Exact Mass 173.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L346gsO0R8n
Name 3-Methyl-4-oxidanylidene-4-phenyl-butanenitrile
Alternate Name(s) 3-Methyl-4-oxo-4-phenyl-butanenitrile 4-keto-3-methyl-4-phenyl-butyronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO
InChI InChI=1S/C11H11NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChIKey HXCPGRBCISMIQZ-UHFFFAOYSA-N
Molecular Weight 173.215 g/mol
SMILES C(#N)CC(C(=O)c1ccccc1)C
SPLASH splash10-0a4i-4900000000-75570f357760b0f268eb
Source of Spectrum D1-1996-1003-2
Wiley ID 834729