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2,2-Dimethyl-5-oxidanylidene-5-phenyl-pentanenitrile
SpectraBase Compound ID Jl3DPMLJWhp
InChI InChI=1S/C13H15NO/c1-13(2,10-14)9-8-12(15)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKey LETAJFFVTWFYGL-UHFFFAOYSA-N
Mol Weight 201.27 g/mol
Molecular Formula C13H15NO
Exact Mass 201.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExHNpojZ9xM
Name 2,2-Dimethyl-5-oxidanylidene-5-phenyl-pentanenitrile
Alternate Name(s) 2,2-Dimethyl-5-oxo-5-phenyl-pentanenitrile 5-keto-2,2-dimethyl-5-phenyl-valeronitrile
CAS Registry Number 58422-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO
InChI InChI=1S/C13H15NO/c1-13(2,10-14)9-8-12(15)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKey LETAJFFVTWFYGL-UHFFFAOYSA-N
Molecular Weight 201.269 g/mol
SMILES C(#N)C(CCC(=O)c1ccccc1)(C)C
SPLASH splash10-0a4i-2900000000-662b39915c61c8b6ec54
Source of Spectrum C-99-1540-0
Wiley ID 1198918