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2,2,6-Trimethylcyclohexanone
SpectraBase Compound ID L7VTZ7bFU9v
InChI InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
InChIKey ZPVOLGVTNLDBFI-UHFFFAOYSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyQvdx1WT2l
Name Cyclohexanone <2,2,6-trimethyl->
CAS Registry Number 2408-37-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 140.120115134 u
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
InChIKey ZPVOLGVTNLDBFI-UHFFFAOYSA-N
Molecular Weight 140.226 g/mol
Number of Peaks 50
RI1 1035
RI2 707
RI3 722
RI4 678
RI5 1014
SMILES C1(C(CCCC1C)(C)C)=O
SPLASH splash10-053u-9000000000-bdca4c91d022e6d2e023
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclohexanone, 2,2,6-trimethyl-
Wiley ID LM_FFNSC3_392