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4-(2-butyl-5-methyl-3-furanyl)benzoic acid methyl ester
SpectraBase Compound ID 2DU29uz7Ieh
InChI InChI=1S/C17H20O3/c1-4-5-6-16-15(11-12(2)20-16)13-7-9-14(10-8-13)17(18)19-3/h7-11H,4-6H2,1-3H3
InChIKey BMNCINQUGIZPJS-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SO4sW9u3Bj
Name 4-(2-butyl-5-methyl-3-furanyl)benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-4-5-6-16-15(11-12(2)20-16)13-7-9-14(10-8-13)17(18)19-3/h7-11H,4-6H2,1-3H3
InChIKey BMNCINQUGIZPJS-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES c1(oc(cc1-c1ccc(cc1)C(=O)OC)C)CCCC
SPLASH splash10-00b9-9050000000-8a2ffc3898a2adddcc95
Source of Spectrum QF-9-2453-3
Synonyms 4-(2-butyl-5-methyl-3-furyl)benzoic acid methyl ester methyl 4-(2-butyl-5-methyl-3-furyl)benzoate methyl 4-(2-butyl-5-methyl-furan-3-yl)benzoate
Wiley ID 1558431