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3-(1-o-Tolylethyl)pentane-2,4-dione
SpectraBase Compound ID LtegyOZQ8E3
InChI InChI=1S/C14H18O2/c1-9-7-5-6-8-13(9)10(2)14(11(3)15)12(4)16/h5-8,10,14H,1-4H3
InChIKey GMGABVFTWQSVRQ-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 Db6MDb0mT3t
Name 3-(1-o-Tolylethyl)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-9-7-5-6-8-13(9)10(2)14(11(3)15)12(4)16/h5-8,10,14H,1-4H3
InChIKey GMGABVFTWQSVRQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200700055
Molecular Weight 218.296 g/mol
SMILES c1(ccccc1C)C(C(C(C)=O)C(=O)C)C
SPLASH splash10-0693-1900000000-90ce5b4c0f4cd57b118b
Source of Spectrum CAJ-2-912-3a
Synonyms 3-(1-(o-tolyl)ethyl)pentane-2,4-dione
Wiley ID 1774556