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Methyl 2-Butyl-4-hex-1-ynylfuran-3-carboxylate
SpectraBase Compound ID 20iEV1cwtSm
InChI InChI=1S/C16H22O3/c1-4-6-8-9-10-13-12-19-14(11-7-5-2)15(13)16(17)18-3/h12H,4-8,11H2,1-3H3
InChIKey ZRJNGDOKBAYPRL-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eVfFqu9IW
Name Methyl 2-Butyl-4-hex-1-ynylfuran-3-carboxylate
Alternate Name(s) Methyl 2-butyl-4-(hex-1-yn-1-yl)furan-3-carboxylate 2-Butyl-4-hex-1-ynyl-3-furancarboxylic acid methyl ester Methyl 2-butyl-4-hex-1-ynyl-furan-3-carboxylate
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-4-6-8-9-10-13-12-19-14(11-7-5-2)15(13)16(17)18-3/h12H,4-8,11H2,1-3H3
InChIKey ZRJNGDOKBAYPRL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301628n
Molecular Weight 262.349 g/mol
SMILES c1c(c(C(OC)=O)c(CCCC)o1)C#CCCCC
SPLASH splash10-0i6u-3970000000-c75e5a8a553cae50143d
Source of Spectrum J-77-8664-2d
Wiley ID 1747064