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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID K12yhFx9eZZ
Name 4-Oxoisophorone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W342106
Lot Number 00917PE
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
Molecular Weight 152.193 g/mol
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,6,6-Trimethyl-2-cyclohexene-1,4-dione; 4-Oxoisophorone; Ketoisophorone
Technique Melt
Wiley ID SIAL_FF-FTIR_001710