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4-(4-(hepta-1,6-dien-4-yloxy)phenyl)butan-2-one
SpectraBase Compound ID EfdZMriMbXR
InChI InChI=1S/C17H22O2/c1-4-6-16(7-5-2)19-17-12-10-15(11-13-17)9-8-14(3)18/h4-5,10-13,16H,1-2,6-9H2,3H3
InChIKey JQZXZBBPHJFGNU-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIY5n4uotP5
Name 4-(4-(hepta-1,6-dien-4-yloxy)phenyl)butan-2-one
Appearance Colorless liquid
Carrier Gas Helium
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Exact Mass 258.161979946 u
Formula C17H22O2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C17H22O2/c1-4-6-16(7-5-2)19-17-12-10-15(11-13-17)9-8-14(3)18/h4-5,10-13,16H,1-2,6-9H2,3H3
InChIKey JQZXZBBPHJFGNU-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 258.361 g/mol
Quality 143
SMILES C=CCC(CC=C)OC1=CC=C(C=C1)CCC(C)=O
SPLASH splash10-0bta-1910000000-90fbe06ff201800f7bac
Source of Spectrum WO2023065200A1
Wiley ID 1897124