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Methyl 5-methyl-4-oxo-2-[2-(1-phenylethenyl)benzyl]hexanoate
SpectraBase Compound ID 46tdM6g09uC
InChI InChI=1S/C23H26O3/c1-16(2)22(24)15-20(23(25)26-4)14-19-12-8-9-13-21(19)17(3)18-10-6-5-7-11-18/h5-13,16,20H,3,14-15H2,1-2,4H3
InChIKey QYGKEQFIBNZHSE-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C23H26O3
Exact Mass 350.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASfXfCz6jLS
Name Methyl 5-methyl-4-oxo-2-[2-(1-phenylethenyl)benzyl]hexanoate
Appearance Colourless oil
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Formula C23H26O3
InChI InChI=1S/C23H26O3/c1-16(2)22(24)15-20(23(25)26-4)14-19-12-8-9-13-21(19)17(3)18-10-6-5-7-11-18/h5-13,16,20H,3,14-15H2,1-2,4H3
InChIKey QYGKEQFIBNZHSE-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 350.458 g/mol
Reported Formula C23H26O3
SMILES COC(C(CC(C(C)C)=O)Cc1c(cccc1)C(=C)c1ccccc1)=O
SPLASH splash10-0006-9880000000-fc5aa54e326301f4fae2
Source of Spectrum BJO-6-SM13-16
Wiley ID 1871707