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6,6-Dimethyl-9-methylene-undecane-2,5,10-trione

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

6,6-Dimethyl-9-methylene-undecane-2,5,10-trione
SpectraBase Compound ID 97E8aufbu0Z
InChI InChI=1S/C14H22O3/c1-10(12(3)16)8-9-14(4,5)13(17)7-6-11(2)15/h1,6-9H2,2-5H3
InChIKey UHSKQHGOGAPXJJ-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ufOFrUzf5m
Name 6,6-Dimethyl-9-methylene-undecane-2,5,10-trione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.156894565 u
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-10(12(3)16)8-9-14(4,5)13(17)7-6-11(2)15/h1,6-9H2,2-5H3
InChIKey UHSKQHGOGAPXJJ-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C=C(C(C)=O)CCC(C(=O)CCC(C)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987844