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4-(2,4-Dimethylcyclohex-4-enyl)but-3-en-2-one

View entire compound with spectra: 1 FTIR

4-(2,4-Dimethylcyclohex-4-enyl)but-3-en-2-one
SpectraBase Compound ID KhdlpNazeyo
InChI InChI=1S/C12H18O/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h4-5,7,10,12H,6,8H2,1-3H3/b7-5+
InChIKey MHYAPRSMSRBFFO-FNORWQNLSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JgxcfwfIAIS
Name 4-(2,4-Dimethylcyclohex-4-enyl)but-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h4-5,7,10,12H,6,8H2,1-3H3/b7-5+
InChIKey MHYAPRSMSRBFFO-FNORWQNLSA-N
Molecular Weight 178.275 g/mol
SMILES C1(=CCC(C(C1)C)\C=C\C(C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967748