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2-(5,5-Dimethylhexa-1,3-diynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID 6dahX9z5c0b
InChI InChI=1S/C19H18/c1-19(2,3)14-7-6-11-17-13-8-10-16-9-4-5-12-18(17)15-16/h4-5,8-10,12-13H,15H2,1-3H3
InChIKey GZWNTTZPBWJMMJ-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C19H18
Exact Mass 246.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcWnLndjWbP
Name 2-(5,5-Dimethylhexa-1,3-diynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Alternate Name(s) 2-(5,5-dimethyl-1,3-hexadiynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18
InChI InChI=1S/C19H18/c1-19(2,3)14-7-6-11-17-13-8-10-16-9-4-5-12-18(17)15-16/h4-5,8-10,12-13H,15H2,1-3H3
InChIKey GZWNTTZPBWJMMJ-UHFFFAOYSA-N
Molecular Weight 246.353 g/mol
SMILES C12=C(C=CC=C(C=CC=C2)C1)C#CC#CC(C)(C)C
SPLASH splash10-014j-0090000000-47d1320b4cbf83312b8f
Source of Spectrum SO-0-1509-11
Wiley ID 1546096