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1,2,5-trimethoxy-3-(oct-1-en-2-yl)benzene
SpectraBase Compound ID 2euJ5PVaMMK
InChI InChI=1S/C17H26O3/c1-6-7-8-9-10-13(2)15-11-14(18-3)12-16(19-4)17(15)20-5/h11-12H,2,6-10H2,1,3-5H3
InChIKey OCYVXBGHHKVMLR-UHFFFAOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN3s9okwunK
Name 1,2,5-trimethoxy-3-(oct-1-en-2-yl)benzene
Appearance Colorless oil
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Exact Mass 278.188194694 u
Formula C17H26O3
GC Column BGB 5 (30 m x 0.32 mm, film thickness 1.0 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C17H26O3/c1-6-7-8-9-10-13(2)15-11-14(18-3)12-16(19-4)17(15)20-5/h11-12H,2,6-10H2,1,3-5H3
InChIKey OCYVXBGHHKVMLR-UHFFFAOYSA-N
Instrument Name Thermo Finnigan Focus GC-DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201179
Molecular Weight 278.392 g/mol
Quality 196
Reported Formula C17H26O3
SMILES COC=1C=C(C(=C(C1)OC)OC)C(=C)CCCCCC
SPLASH splash10-0kdl-0590000000-724f01f7dab05b0a074e
Sample Comments Exo isomer
Source of Spectrum K1-26-SM14-3r (DOI: 10.1002/ejoc.202201179)
Wiley ID 1910561