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4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone
SpectraBase Compound ID LBgO7ktzORu
InChI InChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3
InChIKey CIIUTVUZULBJKL-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F4gf7ra1XQO
Name 4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3
InChIKey CIIUTVUZULBJKL-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C1CC(C=CC1C(C)CCC=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851591