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Ethyl (E)-2-(1-Butyl)-3-(1-butyl)-4-hexenoate
SpectraBase Compound ID 4ZUvqHxAWks
InChI InChI=1S/C16H30O2/c1-5-9-12-14(11-7-3)15(13-10-6-2)16(17)18-8-4/h7,11,14-15H,5-6,8-10,12-13H2,1-4H3/b11-7+/t14-,15-/m1/s1
InChIKey CYQQTBPRGMXCTL-SNVZYIDKSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HYaQKzyOgb
Name Ethyl (E)-2-(1-Butyl)-3-(1-butyl)-4-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-5-9-12-14(11-7-3)15(13-10-6-2)16(17)18-8-4/h7,11,14-15H,5-6,8-10,12-13H2,1-4H3/b11-7+/t14-,15-/m1/s1
InChIKey CYQQTBPRGMXCTL-SNVZYIDKSA-N
Literature Reference DOI 10.1021/jo300304n
Molecular Weight 254.414 g/mol
SMILES C\C=C\[C@@]([C@@](CCCC)(C(=O)OCC)[H])(CCCC)[H]
SPLASH splash10-066r-9600000000-8d5499d98f08658aa9e8
Source of Spectrum J-77-4961-11c
Synonyms (2R,3S)-ethyl 2-butyl-3-((E)-prop-1-en-1-yl)heptanoate (2R,3S)-2-butyl-3-[(E)-prop-1-enyl]heptanoic acid ethyl ester Ethyl (2R,3S)-2-butyl-3-[(E)-prop-1-enyl]heptanoate
Wiley ID 1745085