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(E)-3-Acetoxymethyl-4-phenyl-3-buten-2-one
SpectraBase Compound ID 3DC9e8XJaMk
InChI InChI=1S/C13H14O3/c1-10(14)13(9-16-11(2)15)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b13-8+
InChIKey RNHJOLCGBVMBAP-MDWZMJQESA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rFrqiXYAIp
Name (E)-3-Acetoxymethyl-4-phenyl-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-10(14)13(9-16-11(2)15)8-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b13-8+
InChIKey RNHJOLCGBVMBAP-MDWZMJQESA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 218.252 g/mol
SMILES CC(\C(=C\c1ccccc1)COC(=O)C)=O
SPLASH splash10-0690-0900000000-f26fe68e91037f282b66
Source of Spectrum ASC-358-3562-1a
Synonyms (E)-2-benzylidene-3-oxobutyl acetate
Wiley ID 1803418