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4-Methyl-1-phenylhexan-1-one
SpectraBase Compound ID TcirAwey00
InChI InChI=1S/C13H18O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey WVAYIPTZZWHQMM-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32XqpbQ3Ih2
Name 4-Methyl-1-phenylhexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey WVAYIPTZZWHQMM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302145a
Molecular Weight 190.286 g/mol
SMILES c1cc(C(CCC(CC)C)=O)ccc1
SPLASH splash10-0ab9-1900000000-5fd06e0cb01c3fbb5277
Source of Spectrum A1-14-4703/SMS7-3q
Synonyms 4-Methyl-1-phenyl-1-hexanone
Wiley ID 1750626