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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4cODr8Uftg
Name 3,3,5-Trimethylcyclohexanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T75752
CAS Registry Number 873-94-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_012932