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(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene

View entire compound with spectra: 13 NMR, 1 FTIR, and 42 MS (GC)

(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
SpectraBase Compound ID ASDv6SATrC9
InChI InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChIKey FAMPSKZZVDUYOS-HRGUGZIWSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33yIWNlFI03
Name humulene
Alternate Name(s) .alpha.-Caryophyllene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24
InChI InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChIKey FAMPSKZZVDUYOS-HRGUGZIWSA-N
Instrument Name Hewlett Packard HP 6890 Series GC-5973 MSD
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.298
Molecular Weight 204.357 g/mol
SMILES C\C=1CC\C=C/(C)C\C=C\C(CC/1)(C)C
SPLASH splash10-0006-9400000000-32eebb94790f83819e47
Source of Spectrum BJO-10-SM21-12
Wiley ID 1865122