For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(2,5-dimethylphenyl)methyl]pentane-2,4-dione
SpectraBase Compound ID CDf89mQaqaK
InChI InChI=1S/C14H18O2/c1-9-5-6-10(2)13(7-9)8-14(11(3)15)12(4)16/h5-7,14H,8H2,1-4H3
InChIKey XSLGLDIUYHWEPZ-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FoBRIJlRWN8
Name 3-[(2,5-dimethylphenyl)methyl]pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-9-5-6-10(2)13(7-9)8-14(11(3)15)12(4)16/h5-7,14H,8H2,1-4H3
InChIKey XSLGLDIUYHWEPZ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2014 or Shimadzu GC-MS QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200473
Molecular Weight 218.296 g/mol
SMILES c1(c(cc(cc1)C)CC(C(=O)C)C(C)=O)C
SPLASH splash10-004i-3900000000-45e37347d36aaf4bb664
Source of Spectrum AJO-11-SM20-5d-e
Wiley ID 1880173