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3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)-

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

3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)-
SpectraBase Compound ID 4xMPSwCaHjw
InChI InChI=1S/C13H18O/c1-11(2)12-9-7-5-3-4-6-8-10-13(12)14/h5-8,12H,1,3-4,9-10H2,2H3/b7-5+,8-6+
InChIKey VJWZVZISFZTZGU-KQQUZDAGSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GnjCikKLksr
Name 3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-11(2)12-9-7-5-3-4-6-8-10-13(12)14/h5-8,12H,1,3-4,9-10H2,2H3/b7-5+,8-6+
InChIKey VJWZVZISFZTZGU-KQQUZDAGSA-N
Molecular Weight 190.286 g/mol
SMILES C1C\C=C\CC(=O)C(C\C=C\1)C(C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847223