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Ethyl (E)-2-(1-butyl)-5-acetoxy-3-hexenoate
SpectraBase Compound ID ImEFtyT4H8u
InChI InChI=1S/C14H24O4/c1-5-7-8-13(14(16)17-6-2)10-9-11(3)18-12(4)15/h9-11,13H,5-8H2,1-4H3/b10-9+/t11-,13+/m1/s1
InChIKey MPQYPJVSZOAENZ-FCSPZMLESA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Lx1uE4GNVu
Name Ethyl (E)-2-(1-butyl)-5-acetoxy-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-5-7-8-13(14(16)17-6-2)10-9-11(3)18-12(4)15/h9-11,13H,5-8H2,1-4H3/b10-9+/t11-,13+/m1/s1
InChIKey MPQYPJVSZOAENZ-FCSPZMLESA-N
Literature Reference DOI 10.1021/ol800727f
Molecular Weight 256.342 g/mol
SMILES C[C@](\C=C\[C@@](C(OCC)=O)(CCCC)[H])(OC(=O)C)[H]
SPLASH splash10-0kuu-7910000000-55ddcb02f467a05b1a35
Source of Spectrum A1-10-2087/SMS3-5a
Synonyms (2S,5R,E)-ethyl 5-acetoxy-2-butylhex-3-enoate
Wiley ID 1759471