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4-(Prop-1-ynyl)benzonitrile

View entire compound with spectra: 2 MS (GC)

4-(Prop-1-ynyl)benzonitrile
SpectraBase Compound ID E5Oy5Eu6rGk
InChI InChI=1S/C10H7N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,1H3
InChIKey VZZUXMKKAHKBEW-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C10H7N
Exact Mass 141.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Atv8q6Z8u5O
Name 4-(Prop-1-ynyl)benzonitrile
Alternate Name(s) 4-(prop-1-yn-1-yl)benzonitrile 4-Prop-1-ynylbenzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C10H7N
InChI InChI=1S/C10H7N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,1H3
InChIKey VZZUXMKKAHKBEW-UHFFFAOYSA-N
Molecular Weight 141.173 g/mol
SMILES c1c(ccc(C#CC)c1)C#N
SPLASH splash10-0006-0900000000-241bee7134b7050c2204
Source of Spectrum J-78-10424-3ha
Wiley ID 1747268