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2-(6-Oxo-cyclohex-1-enylmethyl)-1-phenyl-butane-1,3-dione
SpectraBase Compound ID IqzJP8ujwYj
InChI InChI=1S/C17H18O3/c1-12(18)15(11-14-9-5-6-10-16(14)19)17(20)13-7-3-2-4-8-13/h2-4,7-9,15H,5-6,10-11H2,1H3
InChIKey VKPROCNVCXTVAS-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zK0Mrrxfgb
Name 2-(6-Oxo-cyclohex-1-enylmethyl)-1-phenyl-butane-1,3-dione
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-12(18)15(11-14-9-5-6-10-16(14)19)17(20)13-7-3-2-4-8-13/h2-4,7-9,15H,5-6,10-11H2,1H3
InChIKey VKPROCNVCXTVAS-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 270.328 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)c1ccccc1)C(=O)C)=O
SPLASH splash10-0a6r-4920000000-6e3804f7c04d88462c8b
Source of Spectrum BJO-12-SM32-3i
Wiley ID 1851777