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Methyl 3-(3-hexylnona-1,3-dien-1-yl)benzoate
SpectraBase Compound ID LAvMMsVKvv3
InChI InChI=1S/C23H34O2/c1-4-6-8-10-13-20(14-11-9-7-5-2)17-18-21-15-12-16-22(19-21)23(24)25-3/h12-13,15-19H,4-11,14H2,1-3H3/b18-17+,20-13-
InChIKey HNVDDLFBSIBJNO-XJTMBKJVSA-N
Mol Weight 342.5 g/mol
Molecular Formula C23H34O2
Exact Mass 342.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjFmjWqcrgv
Name Methyl 3-(3-hexylnona-1,3-dien-1-yl)benzoate
Alternate Name(s) Methyl 3-((1E,3Z)-3-hexylnona-1,3-dien-1-yl)benzoate
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Formula C23H34O2
InChI InChI=1S/C23H34O2/c1-4-6-8-10-13-20(14-11-9-7-5-2)17-18-21-15-12-16-22(19-21)23(24)25-3/h12-13,15-19H,4-11,14H2,1-3H3/b18-17+,20-13-
InChIKey HNVDDLFBSIBJNO-XJTMBKJVSA-N
Literature Reference DOI 10.1039/c4cc03651d
Molecular Weight 342.523 g/mol
SMILES c1(cc(ccc1)C(OC)=O)\C=C\C(CCCCCC)=C/CCCCC
SPLASH splash10-052f-2962000000-010123ba79635759679c
Source of Spectrum KD-50-8050/SMS13-7e_isomerb
Wiley ID 1754759