For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl (E)-2-ethyl-5-acetoxy-3-hexenoate
SpectraBase Compound ID D8LQ0I7Arh9
InChI InChI=1S/C12H20O4/c1-5-11(12(14)15-6-2)8-7-9(3)16-10(4)13/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11+/m1/s1
InChIKey QTWXQPCCFMDHNE-KLCSSHHSSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CiHE4FlBZqN
Name Ethyl (E)-2-ethyl-5-acetoxy-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-5-11(12(14)15-6-2)8-7-9(3)16-10(4)13/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11+/m1/s1
InChIKey QTWXQPCCFMDHNE-KLCSSHHSSA-N
Literature Reference DOI 10.1021/ol800727f
Molecular Weight 228.288 g/mol
SMILES C[C@](\C=C\[C@@](C(OCC)=O)(CC)[H])(OC(=O)C)[H]
SPLASH splash10-015c-6900000000-8a23f40b5ea0cf373bae
Source of Spectrum A1-10-2087/SMS4-5b
Synonyms (2S,5R,E)-ethyl 5-acetoxy-2-ethylhex-3-enoate
Wiley ID 1759472