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3-Methyl-3-(1-phenyl-ethyl)-pentane-2,4-dione
SpectraBase Compound ID ykE7wpUNXX
InChI InChI=1S/C14H18O2/c1-10(13-8-6-5-7-9-13)14(4,11(2)15)12(3)16/h5-10H,1-4H3
InChIKey ZNXNNARHLSDZRJ-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWcckZiQ9UW
Name 3-Methyl-3-(1-phenyl-ethyl)-pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-10(13-8-6-5-7-9-13)14(4,11(2)15)12(3)16/h5-10H,1-4H3
InChIKey ZNXNNARHLSDZRJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070624a
Molecular Weight 218.296 g/mol
SMILES C(C(C)c1ccccc1)(C)(C(C)=O)C(C)=O
SPLASH splash10-0bt9-0900000000-fba97c6494618898de08
Source of Spectrum A1-9-2027/SMS5-3ae
Synonyms 3-Methyl-3-(1-phenylethyl)pentane-2,4-dione
Wiley ID 1758139