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(E)-4-Phenyl-3-hexanoyloxymethyl-3-buten-2-one
SpectraBase Compound ID 3eiUQdAwOs5
InChI InChI=1S/C17H22O3/c1-3-4-6-11-17(19)20-13-16(14(2)18)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12+
InChIKey MXLKSXRCLBQUBM-FOWTUZBSSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPle5ilSSKm
Name (E)-4-Phenyl-3-hexanoyloxymethyl-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-3-4-6-11-17(19)20-13-16(14(2)18)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12+
InChIKey MXLKSXRCLBQUBM-FOWTUZBSSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 274.360 g/mol
SMILES CC(\C(=C\c1ccccc1)COC(CCCCC)=O)=O
SPLASH splash10-004i-2900000000-9efe6bedd49b3ab717b7
Source of Spectrum ASC-358-3567-13d
Synonyms (E)-2-benzylidene-3-oxobutyl hexanoate
Wiley ID 1803411