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4-(3-Oxobut-1-ynyl)benzonitrile
SpectraBase Compound ID 5ca9NYrK61v
InChI InChI=1S/C11H7NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h4-7H,1H3
InChIKey XXXFJESHROHUKK-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C11H7NO
Exact Mass 169.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqFlYhEem8Y
Name 4-(3-Oxobut-1-ynyl)benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H7NO
InChI InChI=1S/C11H7NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h4-7H,1H3
InChIKey XXXFJESHROHUKK-UHFFFAOYSA-N
Molecular Weight 169.183 g/mol
SMILES C(#Cc1ccc(C#N)cc1)C(=O)C
SPLASH splash10-0udi-0900000000-ab2acdc48764f01740f2
Source of Spectrum F4-44-1573-2j
Synonyms 4-(3-oxidanylidenebut-1-ynyl)benzenecarbonitrile
Wiley ID 1707146