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4-Oxoisophorone

View entire compound with spectra: 6 NMR, 9 FTIR, 1 Raman, and 18 MS (GC)

4-Oxoisophorone
SpectraBase Compound ID A5imleiP0sC
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9rLLssLx3O
Name 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 329517
CAS Registry Number 1125-21-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Oxoisophorone; Ketoisophorone
Wiley ID SIAL_13CNMR_006604