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2,5-Hexanedione, 1-(2-ethyl-4,6-dimethylphenyl)-
SpectraBase Compound ID BMlPJvHBnF9
InChI InChI=1S/C16H22O2/c1-5-14-9-11(2)8-12(3)16(14)10-15(18)7-6-13(4)17/h8-9H,5-7,10H2,1-4H3
InChIKey YTWMXFKQDBTXKT-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqFsUoZ2FDu
Name 2,5-Hexanedione, 1-(2-ethyl-4,6-dimethylphenyl)-
CAS Registry Number 97535-91-6
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-5-14-9-11(2)8-12(3)16(14)10-15(18)7-6-13(4)17/h8-9H,5-7,10H2,1-4H3
InChIKey YTWMXFKQDBTXKT-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES c1(c(cc(cc1CC)C)C)CC(=O)CCC(=O)C
SPLASH splash10-0002-9020000000-013a3599a5b722e76a67
Source of Spectrum K-118-1976-19
Synonyms 1-(2-Ethyl-4,6-dimethylphenyl)-2,5-hexanedione
Wiley ID 1249408