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2-Oxo-4-phenylbut-3-enyl but-2-ynoate
SpectraBase Compound ID Haq2KM99bS3
InChI InChI=1S/C14H12O3/c1-2-6-14(16)17-11-13(15)10-9-12-7-4-3-5-8-12/h3-5,7-10H,11H2,1H3/b10-9+
InChIKey YGVMGRUUEYBHNX-MDZDMXLPSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LZlWeBUj4x
Name 2-Oxo-4-phenylbut-3-enyl but-2-ynoate
Alternate Name(s) (E)-2-oxo-4-phenylbut-3-en-1-yl but-2-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-2-6-14(16)17-11-13(15)10-9-12-7-4-3-5-8-12/h3-5,7-10H,11H2,1H3/b10-9+
InChIKey YGVMGRUUEYBHNX-MDZDMXLPSA-N
Literature Reference DOI 10.1002/adsc.201000762
Molecular Weight 228.247 g/mol
SMILES C(C#CC)(=O)OCC(\C=C\c1ccccc1)=O
SPLASH splash10-001i-0900000000-c917055348e550c04527
Source of Spectrum ASC-353-31/SM10-1r
Wiley ID 1764656