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4-(4-((octadeca-9,11-dien-7-yl)oxy)phenyl)butan-2-one
SpectraBase Compound ID 8pdjAjFudJN
InChI InChI=1S/C28H44O2/c1-4-6-8-10-11-12-13-14-16-18-27(17-15-9-7-5-2)30-28-23-21-26(22-24-28)20-19-25(3)29/h12-14,16,21-24,27H,4-11,15,17-20H2,1-3H3
InChIKey OOEIUMBRIPHJPU-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H44O2
Exact Mass 412.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNL9RS56ZtU
Name 4-(4-((octadeca-9,11-dien-7-yl)oxy)phenyl)butan-2-one
Appearance White solid
Carrier Gas Helium
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Exact Mass 412.334130655 u
Formula C28H44O2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C28H44O2/c1-4-6-8-10-11-12-13-14-16-18-27(17-15-9-7-5-2)30-28-23-21-26(22-24-28)20-19-25(3)29/h12-14,16,21-24,27H,4-11,15,17-20H2,1-3H3
InChIKey OOEIUMBRIPHJPU-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 412.658 g/mol
Quality 129
SMILES CCCCCCC(CC=CC=CCCCCCC)OC1=CC=C(C=C1)CCC(C)=O
SPLASH splash10-0aor-9330000000-fe4a98467fc5fb0f9e5d
Source of Spectrum WO2023067040A1
Wiley ID 1897234