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(2E,4E,8E)-3-methyl-7-methylene-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,8-trienoic acid
SpectraBase Compound ID L13AJzmIXxV
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,9,11-12,14H,1,7-8,10,13H2,2-5H3,(H,21,22)/b9-6+,12-11+,16-14+
InChIKey NBQHBJHKVAZKSS-SILJERBESA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KfrgHJ7Y5X
Name (2E,4E,8E)-3-methyl-7-methylene-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,8-trienoic acid
Alternate Name(s) (2E,4E,8E)-3-methyl-7-methylene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,8-trienoic acid (2E,4E,8E)-3-methyl-7-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,8-trienoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,9,11-12,14H,1,7-8,10,13H2,2-5H3,(H,21,22)/b9-6+,12-11+,16-14+
InChIKey NBQHBJHKVAZKSS-SILJERBESA-N
Molecular Weight 300.442 g/mol
SMILES OC(\C=C\(\C=C\CC(\C=C\C1=C(CCCC1(C)C)C)=C)C)=O
SPLASH splash10-0w29-0609000000-f97228f149e9efcf5f0d
Source of Spectrum K1-2001-1733-8
Wiley ID 846405