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7-(1-Butylcyclohexyl)-5-methoxy-3-butyl-2H-chromen-2-one
SpectraBase Compound ID 6WVR7gJkkJc
InChI InChI=1S/C24H34O3/c1-4-6-11-18-15-20-21(26-3)16-19(17-22(20)27-23(18)25)24(12-7-5-2)13-9-8-10-14-24/h15-17H,4-14H2,1-3H3
InChIKey FXAOTRQIBOIVGK-UHFFFAOYSA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1obC7S6sOe
Name 7-(1-Butylcyclohexyl)-5-methoxy-3-butyl-2H-chromen-2-one
Appearance Off-white solid
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Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-4-6-11-18-15-20-21(26-3)16-19(17-22(20)27-23(18)25)24(12-7-5-2)13-9-8-10-14-24/h15-17H,4-14H2,1-3H3
InChIKey FXAOTRQIBOIVGK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 370.533 g/mol
Reported Formula C24H34O3
SMILES C(CCC)C1(CCCCC1)c1cc(c2c(c1)OC(C(=C2)CCCC)=O)OC
SPLASH splash10-03k9-0039000000-de50ab1de0fd7d369d08
Source of Spectrum EP3760614A1
Thin-Layer Chromatography Rf = 0.31 (CH/EtOAc, 50:1)
Wiley ID 1877389