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2- and 4-Acetoxy-2,6,6-trimethyl-3-heptanone
SpectraBase Compound ID HQAOxMpXVbJ
InChI InChI=1S/C12H22O3/c1-9(13)15-12(5,6)10(14)7-8-11(2,3)4/h7-8H2,1-6H3
InChIKey UZHDYQGVGPBGKP-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoEkeFy4TNN
Name 2- and 4-Acetoxy-2,6,6-trimethyl-3-heptanone
Alternate Name(s) 1,1,5,5-tetramethyl-2-oxohexyl acetate
CAS Registry Number 69204-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-9(13)15-12(5,6)10(14)7-8-11(2,3)4/h7-8H2,1-6H3
InChIKey UZHDYQGVGPBGKP-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES C(OC(=O)C)(C(=O)CCC(C)(C)C)(C)C
SPLASH splash10-052f-9300000000-21a6a89522d98e0b17c1
Source of Spectrum J-44-1273-0
Wiley ID 1213591