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2-(4-Methylphenyl)octan-3-one
SpectraBase Compound ID CMtX3P126QQ
InChI InChI=1S/C15H22O/c1-4-5-6-7-15(16)13(3)14-10-8-12(2)9-11-14/h8-11,13H,4-7H2,1-3H3
InChIKey ACSPQIJIAUVEGO-UHFFFAOYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TNTpGsnzps
Name 2-(4-Methylphenyl)octan-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-4-5-6-7-15(16)13(3)14-10-8-12(2)9-11-14/h8-11,13H,4-7H2,1-3H3
InChIKey ACSPQIJIAUVEGO-UHFFFAOYSA-N
Molecular Weight 218.340 g/mol
SMILES CC(C(CCCCC)=O)c1ccc(cc1)C
SPLASH splash10-014i-0910000000-55d4cca9d559b873ea32
Source of Spectrum F4-0-3450-4
Synonyms 2-(4-methylphenyl)-3-octanone
Wiley ID 1620852