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Cyclooctanone, 6-acetyl-2,2,6-trimethyl-, (.+-.)-

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

Cyclooctanone, 6-acetyl-2,2,6-trimethyl-, (.+-.)-
SpectraBase Compound ID 1tVV2S6joFr
InChI InChI=1S/C13H22O2/c1-10(14)13(4)8-5-7-12(2,3)11(15)6-9-13/h5-9H2,1-4H3
InChIKey ZLKUTHFALDZVKK-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 BfjAvyanQ3o
Name Cyclooctanone, 6-acetyl-2,2,6-trimethyl-, (.+-.)-
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/c1-10(14)13(4)8-5-7-12(2,3)11(15)6-9-13/h5-9H2,1-4H3
InChIKey ZLKUTHFALDZVKK-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C1(C(CCCC(CC1)(C(=O)C)C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965093