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4-(4-(hepta-1,5-dien-4-yloxy)phenyl)butan-2-one
SpectraBase Compound ID EANOOfHVB8C
InChI InChI=1S/C17H22O2/c1-4-6-16(7-5-2)19-17-12-10-15(11-13-17)9-8-14(3)18/h4-5,7,10-13,16H,1,6,8-9H2,2-3H3
InChIKey IODRTNRFZSJMMO-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 Ea4I4lY8Uoh
Name 4-(4-(hepta-1,5-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/h4-5,7,10-13,16H,1,6,8-9H2,2-3H3
InChIKey IODRTNRFZSJMMO-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 258.361 g/mol
Quality 174
SMILES C=CCC(C=CC)OC1=CC=C(C=C1)CCC(C)=O
SPLASH splash10-0bvl-9600000000-1e4e52a6d97b8c02301a
Sample Comments mixture of E/Z isomers
Source of Spectrum WO2023065200A1
Wiley ID 1897127