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4-Benzoylbutyronitrile
SpectraBase Compound ID 30hkd7LOqEJ
InChI InChI=1S/C11H11NO/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2
InChIKey CKJHYHAFFOQUKV-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 JANE6LYrMfr
Name 4-Benzoylbutyronitrile
CAS Registry Number 10413-00-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO
InChI InChI=1S/C11H11NO/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2
InChIKey CKJHYHAFFOQUKV-UHFFFAOYSA-N
Molecular Weight 173.215 g/mol
SMILES C(=O)(CCCC#N)c1ccccc1
SPLASH splash10-0a4i-2900000000-b89adaf44361fbc2ae38
Source of Spectrum F-45-450-0
Synonyms 4-Cyanobutyrophenone 5-keto-5-phenyl-valeronitrile 5-Oxidanylidene-5-phenyl-pentanenitrile 5-Oxo-5-phenyl-pentanenitrile
Wiley ID 1169829