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4-(2,6,6-Trimethyl-3-oxidanyl-cyclohexen-1-yl)butan-2-one

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

4-(2,6,6-Trimethyl-3-oxidanyl-cyclohexen-1-yl)butan-2-one
SpectraBase Compound ID H3dcwQtEqRG
InChI InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3
InChIKey DOLFMVAJDYALTI-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8mvSvoHd4VC
Name 4-(2,6,6-Trimethyl-3-oxidanyl-cyclohexen-1-yl)butan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3
InChIKey DOLFMVAJDYALTI-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C1(=C(C(O)CCC1(C)C)C)CCC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893863