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7-Isopropyl-7-methyl-nona-3,5-diene-2,8-dione

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

7-Isopropyl-7-methyl-nona-3,5-diene-2,8-dione
SpectraBase Compound ID 427vtuCgxi1
InChI InChI=1S/C13H20O2/c1-10(2)13(5,12(4)15)9-7-6-8-11(3)14/h6-10H,1-5H3/b8-6+,9-7+
InChIKey CVETYAIQGFCEGB-CDJQDVQCSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1lyolmNmjeA
Name 7-Isopropyl-7-methyl-nona-3,5-diene-2,8-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(2)13(5,12(4)15)9-7-6-8-11(3)14/h6-10H,1-5H3/b8-6+,9-7+
InChIKey CVETYAIQGFCEGB-CDJQDVQCSA-N
Molecular Weight 208.301 g/mol
SMILES C(=O)(C)C(\C=C\C=C\C(C)=O)(C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812988