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1-Hexanone, 5-methyl-1-phenyl-
SpectraBase Compound ID ATAspXGbzDf
InChI InChI=1S/C13H18O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKey GDLHZUSLTJYZFX-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 AOVGxVWiVZY
Name 1-Hexanone, 5-methyl-1-phenyl-
CAS Registry Number 25552-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKey GDLHZUSLTJYZFX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302145a
Molecular Weight 190.286 g/mol
SMILES c1cc(C(CCCC(C)C)=O)ccc1
SPLASH splash10-0ab9-1900000000-10b5c865c0deee15f36f
Source of Spectrum A1-14-4703/SMS6-3p
Synonyms 5-Methyl-1-phenyl-1-hexanone 5-Methyl-1-phenyl-hexan-1-one Hexanophenone, 5-methyl- 5-Methyl-1-phenylhexan-1-one
Wiley ID 1750625