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2- and 4-(Trimethylacetoxy)-2-methyl-3-hexanone
SpectraBase Compound ID 3W9r39ndfOj
InChI InChI=1S/C12H22O3/c1-7-8-9(13)12(5,6)15-10(14)11(2,3)4/h7-8H2,1-6H3
InChIKey UMZBTLBKBBFCAU-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 3n9NTAlfGu4
Name 2- and 4-(Trimethylacetoxy)-2-methyl-3-hexanone
Alternate Name(s) 1,1-Dimethyl-2-oxopentyl pivalate
CAS Registry Number 69204-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7-8-9(13)12(5,6)15-10(14)11(2,3)4/h7-8H2,1-6H3
InChIKey UMZBTLBKBBFCAU-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES C(OC(C(=O)CCC)(C)C)(C(C)(C)C)=O
SPLASH splash10-0a4i-9000000000-d2aede8c546a74f9229c
Source of Spectrum J-44-1273-0
Wiley ID 1213592