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2-Methyl-2-(4-oxo-4-phenyl-but-2-enyl)-cyclopentane-1,3-dione
SpectraBase Compound ID 3NPSlvN1bhs
InChI InChI=1S/C16H16O3/c1-16(14(18)9-10-15(16)19)11-5-8-13(17)12-6-3-2-4-7-12/h2-8H,9-11H2,1H3/b8-5+
InChIKey ATSRJISDNXBLMG-VMPITWQZSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h5eqdhaeEO
Name 2-Methyl-2-(4-oxo-4-phenyl-but-2-enyl)-cyclopentane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-16(14(18)9-10-15(16)19)11-5-8-13(17)12-6-3-2-4-7-12/h2-8H,9-11H2,1H3/b8-5+
InChIKey ATSRJISDNXBLMG-VMPITWQZSA-N
Literature Reference DOI 10.1021/ol9014943
Molecular Weight 256.301 g/mol
SMILES C1(C(=O)CCC1=O)(C\C=C\C(c1ccccc1)=O)C
SPLASH splash10-0a4i-6920000000-0c69cb50c36947669b1c
Source of Spectrum A1-11-3778/SMS14-25
Synonyms (E)-2-methyl-2-(4-oxo-4-phenylbut-2-en-1-yl)cyclopentane-1,3-dione 2-Methyl-2-[(E)-4-oxo-4-phenylbut-2-enyl]cyclopentane-1,3-dione 2-Methyl-2-[(E)-4-oxo-4-phenyl-but-2-enyl]cyclopentane-1,3-dione 2-Methyl-2-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]cyclopentane-1,3-dione
Wiley ID 1757203