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3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
SpectraBase Compound ID Ds1jNf0hs9R
InChI InChI=1S/C12H14/c1-7-11(9(3)4)12(8-2)10(5)6/h1-2H,3-6H3
InChIKey DMZHLOHUQBEWDP-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sQ62HGuHo
Name 3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
Appearance Colourless solid
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Formula C12H14
InChI InChI=1S/C12H14/c1-7-11(9(3)4)12(8-2)10(5)6/h1-2H,3-6H3
InChIKey DMZHLOHUQBEWDP-UHFFFAOYSA-N
Instrument Name Finnigan Polaris Q
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201914807
Molecular Weight 158.244 g/mol
Reported Formula C12H14
SMILES C#CC(=C(C)C)C(=C(C)C)C#C
SPLASH splash10-056r-0900000000-bb32a4f48de28a3bb5ca
Source of Spectrum ACI-59-SM40-22
Thin-Layer Chromatography Rf = 0.23 (PS 30-40oC, 100%)
Wiley ID 1857634