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3-Methyl-4-(2,2,6-trimethylcyclohexyl)-2-butanone

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

3-Methyl-4-(2,2,6-trimethylcyclohexyl)-2-butanone
SpectraBase Compound ID 2xBCz0cGT80
InChI InChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-11,13H,6-9H2,1-5H3
InChIKey NSCHHIJUBNTNRY-UHFFFAOYSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FdJ4WrFAhQE
Name 3-Methyl-4-(2,2,6-trimethylcyclohexyl)-2-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.198365456 u
Formula C14H26O
InChI InChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-11,13H,6-9H2,1-5H3
InChIKey NSCHHIJUBNTNRY-UHFFFAOYSA-N
Molecular Weight 210.361 g/mol
SMILES C1(CC(C(=O)C)C)C(CCCC1C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912224