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2-Oxo-4-phenylbut-3-enyl oct-2-ynoate
SpectraBase Compound ID 35r7quldvKd
InChI InChI=1S/C18H20O3/c1-2-3-4-5-9-12-18(20)21-15-17(19)14-13-16-10-7-6-8-11-16/h6-8,10-11,13-14H,2-5,15H2,1H3/b14-13+
InChIKey XHUHAAFWGHHHJN-BUHFOSPRSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlYED5OHkal
Name 2-Oxo-4-phenylbut-3-enyl oct-2-ynoate
Alternate Name(s) (E)-2-oxo-4-phenylbut-3-en-1-yl oct-2-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-2-3-4-5-9-12-18(20)21-15-17(19)14-13-16-10-7-6-8-11-16/h6-8,10-11,13-14H,2-5,15H2,1H3/b14-13+
InChIKey XHUHAAFWGHHHJN-BUHFOSPRSA-N
Molecular Weight 284.355 g/mol
SMILES C(C#CCCCCC)(=O)OCC(\C=C\c1ccccc1)=O
SPLASH splash10-001i-0900000000-b210b8708c30506ae80d
Source of Spectrum ASC-353-31/SM10-1s
Wiley ID 1764657