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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 1RhxpmL7INN
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(CCCC(c1ccccc1)=O)#N
SPLASH splash10-0a4i-4900000000-516f1c260c8381426893
Source of Spectrum H-86-883-1
Synonyms 4-Cyanobutyrophenone 5-keto-5-phenyl-valeronitrile 5-Oxidanylidene-5-phenyl-pentanenitrile 5-Oxo-5-phenyl-pentanenitrile
Wiley ID 1525372