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(E)-butyl 3-methylocta-2,7-dienoate
SpectraBase Compound ID C33sfeMkLX7
InChI InChI=1S/C13H22O2/c1-4-6-8-9-12(3)11-13(14)15-10-7-5-2/h4,11H,1,5-10H2,2-3H3/b12-11+
InChIKey WGCKXBQNNLGALW-VAWYXSNFSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OQj83hf2nU
Name (E)-butyl 3-methylocta-2,7-dienoate
Alternate Name(s) Butyl (2E)-3-methylocta-2,7-dienoate
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Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-4-6-8-9-12(3)11-13(14)15-10-7-5-2/h4,11H,1,5-10H2,2-3H3/b12-11+
InChIKey WGCKXBQNNLGALW-VAWYXSNFSA-N
Literature Reference DOI 10.1021/ol701999h
Molecular Weight 210.317 g/mol
SMILES C(OC(\C=C\(CCCC=C)C)=O)CCC
SPLASH splash10-001j-9100000000-644a65749ea90564984e
Source of Spectrum A1-9-4713/SMS5-14
Wiley ID 1758684