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2-Heptyl-3-(4'-methoxycarbonylphenyl)-5-(cyclohexyl)furan
SpectraBase Compound ID JnRDukv6Q5c
InChI InChI=1S/C25H34O3/c1-3-4-5-6-10-13-23-22(18-24(28-23)20-11-8-7-9-12-20)19-14-16-21(17-15-19)25(26)27-2/h14-18,20H,3-13H2,1-2H3
InChIKey VHLDPIPMDZVMRN-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C25H34O3
Exact Mass 382.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG2wGKSDW0q
Name 2-Heptyl-3-(4'-methoxycarbonylphenyl)-5-(cyclohexyl)furan
Comments Less than 3 mono-isotopic peaks
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Formula C25H34O3
InChI InChI=1S/C25H34O3/c1-3-4-5-6-10-13-23-22(18-24(28-23)20-11-8-7-9-12-20)19-14-16-21(17-15-19)25(26)27-2/h14-18,20H,3-13H2,1-2H3
InChIKey VHLDPIPMDZVMRN-UHFFFAOYSA-N
Molecular Weight 382.544 g/mol
SMILES c1(oc(cc1-c1ccc(cc1)C(=O)OC)C1CCCCC1)CCCCCCC
SPLASH splash10-000t-0095000000-b0fc0b854d0a189795fc
Source of Spectrum QF-9-2453-3
Synonyms methyl 4-(5-cyclohexyl-2-heptyl-3-furyl)benzoate
Wiley ID 1558527