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Ethyl (E)-2-(1-Butyl)-3-methyl-4-hexenoate
SpectraBase Compound ID 4OelWK5ckZP
InChI InChI=1S/C13H24O2/c1-5-8-10-12(11(4)9-6-2)13(14)15-7-3/h6,9,11-12H,5,7-8,10H2,1-4H3/b9-6+/t11-,12+/m0/s1
InChIKey WCMPMXJOMFPURI-GJEJFBSKSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlkYQUjb69B
Name Ethyl (E)-2-(1-Butyl)-3-methyl-4-hexenoate
Alternate Name(s) (2R,3S,E)-ethyl 2-butyl-3-methylhex-4-enoate (E,2R,3S)-2-butyl-3-methyl-4-hexenoic acid ethyl ester Ethyl (E,2R,3S)-2-butyl-3-methylhex-4-enoate Ethyl (E,2R,3S)-2-butyl-3-methyl-hex-4-enoate
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Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-5-8-10-12(11(4)9-6-2)13(14)15-7-3/h6,9,11-12H,5,7-8,10H2,1-4H3/b9-6+/t11-,12+/m0/s1
InChIKey WCMPMXJOMFPURI-GJEJFBSKSA-N
Literature Reference DOI 10.1021/jo300304n
Molecular Weight 212.333 g/mol
SMILES C\C=C\[C@@]([C@@](CCCC)(C(OCC)=O)[H])(C)[H]
SPLASH splash10-0pvi-6900000000-70169d13322f61c5337d
Source of Spectrum J-77-4961-11a
Wiley ID 1745083