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2- and 4-(Trimethylacetoxy)-2-methyl-3-hexanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8TOltkbTWdQ
Name 2- and 4-(Trimethylacetoxy)-2-methyl-3-hexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.156894565 u
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867497