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2-Tert-butyl-4,4-dimethoxy-5-methylcyclohexa-2,5-dienone

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

2-Tert-butyl-4,4-dimethoxy-5-methylcyclohexa-2,5-dienone
SpectraBase Compound ID 1YHfiK4uxRk
InChI InChI=1S/C13H20O3/c1-9-7-11(14)10(12(2,3)4)8-13(9,15-5)16-6/h7-8H,1-6H3
InChIKey AJAXOWOGUPVCOG-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2RKdQKf6Hhb
Name 2-Tert-butyl-4,4-dimethoxy-5-methylcyclohexa-2,5-dienone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.141244501 u
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-7-11(14)10(12(2,3)4)8-13(9,15-5)16-6/h7-8H,1-6H3
InChIKey AJAXOWOGUPVCOG-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(=CC(OC)(OC)C(=CC1=O)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941848