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Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester
SpectraBase Compound ID uun9CfyEVK
InChI InChI=1S/C22H30O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-24-22(23)21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
InChIKey IBDUXGXSPANFLU-YEFHWUCQSA-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 K0HRXs1PhKp
Name Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester
Alternate Name(s) (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl benzoate [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] benzoate
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Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-24-22(23)21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
InChIKey IBDUXGXSPANFLU-YEFHWUCQSA-N
Molecular Weight 326.480 g/mol
SMILES c1cc(C(=O)OC\C=C/(C)CC\C=C\(CCC=C(C)C)C)ccc1
SPLASH splash10-066u-9600000000-ea43b20e8d51659ef912
Wiley ID 1490672