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2-[5-(3-butoxy-phenyl)-furan-2-yl]-5-heptyl-[1,3]dioxane
SpectraBase Compound ID 8bDBP7ngKWl
InChI InChI=1S/C25H36O4/c1-3-5-7-8-9-11-20-18-27-25(28-19-20)24-15-14-23(29-24)21-12-10-13-22(17-21)26-16-6-4-2/h10,12-15,17,20,25H,3-9,11,16,18-19H2,1-2H3
InChIKey VDGPMCBHELCWAG-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZjQX31vUHz
Name 2-[5-(3-butoxy-phenyl)-furan-2-yl]-5-heptyl-[1,3]dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-3-5-7-8-9-11-20-18-27-25(28-19-20)24-15-14-23(29-24)21-12-10-13-22(17-21)26-16-6-4-2/h10,12-15,17,20,25H,3-9,11,16,18-19H2,1-2H3
InChIKey VDGPMCBHELCWAG-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES c1c(oc(c1)C1OCC(CO1)CCCCCCC)-c1cc(ccc1)OCCCC
SPLASH splash10-0f6x-9640400000-2a60a6d7834e2fac3d00
Synonyms 2-[5-(3-butoxyphenyl)-2-furyl]-5-heptyl-1,3-dioxane Butyl 3-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furyl]phenyl ether
Wiley ID 1444333