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2-Ethyl-4-phenyl-3-butynenitrile
SpectraBase Compound ID 5Fu20HTVM4N
InChI InChI=1S/C12H11N/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-7,11H,2H2,1H3
InChIKey FXSZUAAOJJMMIN-UHFFFAOYSA-N
Mol Weight 169.23 g/mol
Molecular Formula C12H11N
Exact Mass 169.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hbDMkRBwA
Name 2-Ethyl-4-phenyl-3-butynenitrile
Alternate Name(s) 2-ethyl-4-phenyl-but-3-ynenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H11N
InChI InChI=1S/C12H11N/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-7,11H,2H2,1H3
InChIKey FXSZUAAOJJMMIN-UHFFFAOYSA-N
Molecular Weight 169.227 g/mol
SMILES C(C(C#Cc1ccccc1)CC)#N
SPLASH splash10-00kf-0900000000-a187a701d094097c3186
Source of Spectrum SO-0-455-4
Wiley ID 1540678