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(E/z)-1-(3,3-dimethylbut-1-ynyl)-2-(pent-1-enyl)benzene
SpectraBase Compound ID BYG6P4zBDtI
InChI InChI=1S/C17H22/c1-5-6-7-10-15-11-8-9-12-16(15)13-14-17(2,3)4/h7-12H,5-6H2,1-4H3/b10-7+
InChIKey LJUQLMLDKQMWOB-JXMROGBWSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H01yTXZR966
Name (E/z)-1-(3,3-dimethylbut-1-ynyl)-2-(pent-1-enyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-5-6-7-10-15-11-8-9-12-16(15)13-14-17(2,3)4/h7-12H,5-6H2,1-4H3/b10-7+
InChIKey LJUQLMLDKQMWOB-JXMROGBWSA-N
Literature Reference DOI 10.1002/adsc.200800385
Molecular Weight 226.363 g/mol
SMILES c1cccc(C#CC(C)(C)C)c1\C=C\CCC
SPLASH splash10-054k-0920000000-5844f723a7d30275130a
Source of Spectrum ASC-350-2059/SM11-13i
Synonyms (E)-1-(3,3-dimethylbut-1-yn-1-yl)-2-(pent-1-en-1-yl)benzene
Wiley ID 1765763