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2,2,4-Trimethyl-3-(1-oxobutyl)-1-cyclohexanone

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

2,2,4-Trimethyl-3-(1-oxobutyl)-1-cyclohexanone
SpectraBase Compound ID F0Z8PRA4bpz
InChI InChI=1S/C13H22O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h9,12H,5-8H2,1-4H3
InChIKey KWKYATZRTCMSLQ-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 BDTWZa0y8Lv
Name 2,2,4-Trimethyl-3-(1-oxobutyl)-1-cyclohexanone
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/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h9,12H,5-8H2,1-4H3
InChIKey KWKYATZRTCMSLQ-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C1(C(C(=O)CCC)C(C)CCC1=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845115