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2,6-Octanedione, 7-methyl-5-(2-methyl-1-propanoyl)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2,6-Octanedione, 7-methyl-5-(2-methyl-1-propanoyl)-
SpectraBase Compound ID L2FrZNslMGm
InChI InChI=1S/C13H22O3/c1-8(2)12(15)11(7-6-10(5)14)13(16)9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKey AOJPLMPHQKIHOK-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J6YAJl0OATh
Name 2,6-Octanedione, 7-methyl-5-(2-methyl-1-propanoyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8(2)12(15)11(7-6-10(5)14)13(16)9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKey AOJPLMPHQKIHOK-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C(=O)(C(C)C)C(CCC(=O)C)C(=O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828788