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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 41TqfyjbTTF
Name 4-Ketoisophorone
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number K0034
Lot Number 5COMF-AJ
CAS Registry Number 1125-21-9
Classification Flavors and Fragrances
Color Properties Dark Yellow
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FEMA Number 3421
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
Instrument Name Bruker Tensor 27 FT-IR
Purity >95%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 4-Oxoisophorone; 2,6,6-Trimethyl-2-cyclohexen-1,4-dione
Technique ATR-Neat (DuraSamplIR II)