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2-(3,3-Dimethylbutynyl)-5,5-dimethylcyclohex-2-en-1-one

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

2-(3,3-Dimethylbutynyl)-5,5-dimethylcyclohex-2-en-1-one
SpectraBase Compound ID At45q3MIpPu
InChI InChI=1S/C14H20O/c1-13(2,3)8-6-11-7-9-14(4,5)10-12(11)15/h7H,9-10H2,1-5H3
InChIKey JILCZAAKOVNQOR-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FQsuRFLhekk
Name 2-(3,3-Dimethylbutynyl)-5,5-dimethylcyclohex-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.151415263 u
Formula C14H20O
InChI InChI=1S/C14H20O/c1-13(2,3)8-6-11-7-9-14(4,5)10-12(11)15/h7H,9-10H2,1-5H3
InChIKey JILCZAAKOVNQOR-UHFFFAOYSA-N
Molecular Weight 204.313 g/mol
SMILES C(C=1C(CC(CC1)(C)C)=O)#CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976764