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5,5-Dimethyl-2,6,7-octatrienoic acid ethyl ester
SpectraBase Compound ID Dff9FsMde4l
InChI InChI=1S/C12H18O2/c1-5-9-12(3,4)10-7-8-11(13)14-6-2/h7-9H,1,6,10H2,2-4H3/b8-7+
InChIKey INXPEYVYLAVRRT-BQYQJAHWSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5y4hZhgwQt
Name 5,5-Dimethyl-2,6,7-octatrienoic acid ethyl ester
Alternate Name(s) (E)-ethyl 5,5-dimethylocta-2,6,7-trienoate
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-5-9-12(3,4)10-7-8-11(13)14-6-2/h7-9H,1,6,10H2,2-4H3/b8-7+
InChIKey INXPEYVYLAVRRT-BQYQJAHWSA-N
Literature Reference DOI 10.1021/ol800509z
Molecular Weight 194.274 g/mol
SMILES C(C)(C=C=C)(C\C=C\C(=O)OCC)C
SPLASH splash10-01q9-9400000000-c59fdfe70d0e34badadc
Source of Spectrum A1-10-2633/SMS5-13
Wiley ID 1759373