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Ethyl (E)-2-(1-methylpropyl)-5-acetoxy-3-hexenoate
SpectraBase Compound ID Ah6hZdwZQ5Y
InChI InChI=1S/C14H24O4/c1-6-10(3)13(14(16)17-7-2)9-8-11(4)18-12(5)15/h8-11,13H,6-7H2,1-5H3/b9-8+/t10?,11-,13-/m1/s1
InChIKey DIZNIMYHCIAQSQ-IVYAWFMBSA-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 Gi33xobcl01
Name Ethyl (E)-2-(1-methylpropyl)-5-acetoxy-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-6-10(3)13(14(16)17-7-2)9-8-11(4)18-12(5)15/h8-11,13H,6-7H2,1-5H3/b9-8+/t10?,11-,13-/m1/s1
InChIKey DIZNIMYHCIAQSQ-IVYAWFMBSA-N
Literature Reference DOI 10.1021/ol800727f
Molecular Weight 256.342 g/mol
SMILES C[C@](\C=C\[C@@](C(OCC)=O)(C(CC)C)[H])(OC(=O)C)[H]
SPLASH splash10-0ar4-9800000000-7f382b73d7110ed5e296
Source of Spectrum A1-10-2087/SMS4-5c
Synonyms (2S,5R,E)-ethyl 5-acetoxy-2-((R)-sec-butyl)hex-3-enoate
Wiley ID 1759473