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(3E,5E)-2,3-Dihydro-5-methyl-5-[(4-methyl-6-(2,6,6-trimethylcyclohexenyl)-3,5-hexadien-1-ynyl]-1,4-dioxepin
SpectraBase Compound ID ITKqE8E1W1m
InChI InChI=1S/C22H30O2/c1-18(8-6-13-22(5)14-15-23-16-17-24-22)10-11-20-19(2)9-7-12-21(20,3)4/h8,10-11,14-15H,7,9,12,16-17H2,1-5H3/b11-10+,18-8+
InChIKey BRORVLMANGNCOE-OHCBYTDDSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5pdZHQ7ioI
Name (3E,5E)-2,3-Dihydro-5-methyl-5-[(4-methyl-6-(2,6,6-trimethylcyclohexenyl)-3,5-hexadien-1-ynyl]-1,4-dioxepin
Alternate Name(s) 5-Methyl-5-[(3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5-hexadien-1-ynyl]-2,3-dihydro-5H-1,4-dioxepin
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Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-18(8-6-13-22(5)14-15-23-16-17-24-22)10-11-20-19(2)9-7-12-21(20,3)4/h8,10-11,14-15H,7,9,12,16-17H2,1-5H3/b11-10+,18-8+
InChIKey BRORVLMANGNCOE-OHCBYTDDSA-N
Molecular Weight 326.480 g/mol
SMILES C1(\C=C\C(=C\C#CC2(C=COCCO2)C)C)=C(CCCC1(C)C)C
SPLASH splash10-03fr-0809000000-53778cc776fee96aac81
Source of Spectrum QE-4-1742-11
Wiley ID 843637