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3,3,5-Trimethylcyclohexanone

View entire compound with spectra: 23 NMR, 4 FTIR, 15 MS (GC), and 2 Near IR

3,3,5-Trimethylcyclohexanone
SpectraBase Compound ID KdVVRSxj9tx
InChI InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChIKey POSWICCRDBKBMH-UHFFFAOYSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEWTz2HxqIq
Name 3,3,5-TRIMETHYLCYCLOHEXANONE
CAS Registry Number 873-94-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChIKey POSWICCRDBKBMH-UHFFFAOYSA-N
Literature Reference Author J.K.CRANDALL,M.A.CENTENO,S.BORRESEN
Literature Reference Citation J.ORG.CHEM.,44,1184(1979)
Literature Reference DOI 10.1021/jo01321a043
Solvent NEAT
Source File Reference UNIO730