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3,8-Undecadiene-2,5,10-trione, 6,6-dimethyl-, (E,Z)-

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3,8-Undecadiene-2,5,10-trione, 6,6-dimethyl-, (E,Z)-
SpectraBase Compound ID 2tkLiRamrT3
InChI InChI=1S/C13H18O3/c1-10(14)6-5-9-13(3,4)12(16)8-7-11(2)15/h5-8H,9H2,1-4H3/b6-5-,8-7+
InChIKey IKONVYCENZMISY-IGTJQSIKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Cn4wl2oRLJ
Name 3,8-Undecadiene-2,5,10-trione, 6,6-dimethyl-, (E,Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-10(14)6-5-9-13(3,4)12(16)8-7-11(2)15/h5-8H,9H2,1-4H3/b6-5-,8-7+
InChIKey IKONVYCENZMISY-IGTJQSIKSA-N
Molecular Weight 222.284 g/mol
SMILES C(\C=C\C(=O)C)(C(C\C=C/C(=O)C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878191