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1-(2,6,6-Trimethylcyclohex-2-enyl)prop-2-en-1-one

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

1-(2,6,6-Trimethylcyclohex-2-enyl)prop-2-en-1-one
SpectraBase Compound ID 52mqm2gTsmS
InChI InChI=1S/C12H18O/c1-5-10(13)11-9(2)7-6-8-12(11,3)4/h5,7,11H,1,6,8H2,2-4H3
InChIKey CHRKHWMXPRTQHH-UHFFFAOYSA-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 7LiRuEMopUW
Name 1-(2,6,6-Trimethylcyclohex-2-enyl)prop-2-en-1-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/c1-5-10(13)11-9(2)7-6-8-12(11,3)4/h5,7,11H,1,6,8H2,2-4H3
InChIKey CHRKHWMXPRTQHH-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C1C(C(C(=CC1)C)C(C=C)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860147