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

*Links on SpectraBase are not permalinks.
4-(4-Methylbenzylidene)cyclohexane-1,3-dione
SpectraBase Compound ID RrCSxUakuI
InChI InChI=1S/C14H14O2/c1-10-2-4-11(5-3-10)8-12-6-7-13(15)9-14(12)16/h2-5,8H,6-7,9H2,1H3/b12-8-
InChIKey FRBNAYQWCVJOOJ-WQLSENKSSA-N
Mol Weight 214.26 g/mol
Molecular Formula C14H14O2
Exact Mass 214.09938 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 46SZiZqkcWk
Name 4-(4-Methylbenzylidene)cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O2
InChI InChI=1S/C14H14O2/c1-10-2-4-11(5-3-10)8-12-6-7-13(15)9-14(12)16/h2-5,8H,6-7,9H2,1H3/b12-8-
InChIKey FRBNAYQWCVJOOJ-WQLSENKSSA-N
Molecular Weight 214.264 g/mol
SMILES C1(\C(CCC(C1)=O)=C/c1ccc(cc1)C)=O
SPLASH splash10-002b-0910000000-3fd19c2c248bd9b98be7
Source of Spectrum Y1-44-2990-5
Synonyms (4Z)-4-(4-methylbenzylidene)-1,3-cyclohexanedione
Wiley ID 1621408