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Ethyl (E)-2-(1-butyl)-3-phenyl-4-hexenoate
SpectraBase Compound ID 92R51rOhSQL
InChI InChI=1S/C18H26O2/c1-4-7-14-17(18(19)20-6-3)16(11-5-2)15-12-9-8-10-13-15/h5,8-13,16-17H,4,6-7,14H2,1-3H3/b11-5+/t16-,17+/m1/s1
InChIKey ZAUIMIWZZCQVGF-CYHCCJJZSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Kqtf9YDLyQ
Name Ethyl (E)-2-(1-butyl)-3-phenyl-4-hexenoate
Alternate Name(s) (2S,3S,E)-ethyl 2-butyl-3-phenylhex-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-4-7-14-17(18(19)20-6-3)16(11-5-2)15-12-9-8-10-13-15/h5,8-13,16-17H,4,6-7,14H2,1-3H3/b11-5+/t16-,17+/m1/s1
InChIKey ZAUIMIWZZCQVGF-CYHCCJJZSA-N
Literature Reference DOI 10.1021/ol800727f
Molecular Weight 274.404 g/mol
SMILES C\C=C\[C@](c1ccccc1)([C@@](C(=O)OCC)(CCCC)[H])[H]
SPLASH splash10-001l-3910000000-10c4f5c517c794bdd76f
Source of Spectrum A1-10-2087/SMS6-9a
Wiley ID 1759481