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(4R,6R,8R)-Trimethylundecan-2-one

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

(4R,6R,8R)-Trimethylundecan-2-one
SpectraBase Compound ID BuQT8GE0v25
InChI InChI=1S/C14H28O/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKey MYSJOKXZNQNFMP-JHJVBQTASA-N
Mol Weight 212.38 g/mol
Molecular Formula C14H28O
Exact Mass 212.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9dwV0ZtDp5o
Name (4R,6R,8R)-Trimethylundecan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.214015521 u
Formula C14H28O
InChI InChI=1S/C14H28O/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKey MYSJOKXZNQNFMP-JHJVBQTASA-N
Molecular Weight 212.377 g/mol
SMILES CCC[C@](C[C@](C[C@](CC(C)=O)(C)[H])(C)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928373