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2-Acetyl-3-phenylhex-4-ynoic Acid Ethyl Ester
SpectraBase Compound ID BhnI1I4w5qw
InChI InChI=1S/C16H18O3/c1-4-9-14(13-10-7-6-8-11-13)15(12(3)17)16(18)19-5-2/h6-8,10-11,14-15H,5H2,1-3H3
InChIKey YUHGGNSJROPKKP-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vaxudvdhDy
Name 2-Acetyl-3-phenylhex-4-ynoic Acid Ethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-4-9-14(13-10-7-6-8-11-13)15(12(3)17)16(18)19-5-2/h6-8,10-11,14-15H,5H2,1-3H3
InChIKey YUHGGNSJROPKKP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600366
Molecular Weight 258.317 g/mol
SMILES C(C(C(C#CC)c1ccccc1)C(=O)C)(=O)OCC
SPLASH splash10-00tr-0910000000-2b981a02fdc40d7d3d54
Source of Spectrum ASC-349-391-14h
Synonyms Ethyl 2-acetyl-3-phenylhex-4-ynoate
Wiley ID 1765493