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3-(Geranyl-geranyl)-1,2,4-trimethoxybenzene
SpectraBase Compound ID 2I1YPeuiZN1
InChI InChI=1S/C29H44O3/c1-21(2)12-10-14-23(5)16-17-25(20-24(6)15-11-13-22(3)4)28-26(30-7)18-19-27(31-8)29(28)32-9/h12-13,16,18-20,25H,10-11,14-15,17H2,1-9H3/b23-16+,24-20+
InChIKey AEHPWCBDOFUWAD-CYPLULBNSA-N
Mol Weight 440.7 g/mol
Molecular Formula C29H44O3
Exact Mass 440.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D6zWb4ZHZk
Name 3-(Geranyl-geranyl)-1,2,4-trimethoxybenzene
Alternate Name(s) 2-{(3E)-1-[(1E)-2,6-dimethyl-1,5-heptadienyl]-4,8-dimethyl-3,7-nonadienyl}-1,3,4-trimethoxybenzene
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Formula C29H44O3
InChI InChI=1S/C29H44O3/c1-21(2)12-10-14-23(5)16-17-25(20-24(6)15-11-13-22(3)4)28-26(30-7)18-19-27(31-8)29(28)32-9/h12-13,16,18-20,25H,10-11,14-15,17H2,1-9H3/b23-16+,24-20+
InChIKey AEHPWCBDOFUWAD-CYPLULBNSA-N
Molecular Weight 440.668 g/mol
SMILES c1(c(c(c(cc1)OC)C(\C=C/(C)CCC=C(C)C)C\C=C/(C)CCC=C(C)C)OC)OC
SPLASH splash10-00lr-3950000000-2669b62dfa9219215c61
Source of Spectrum X2-52-946-8
Wiley ID 1603261