For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4R,6R)-4-Acetoxy-2,2,6-trimethylcyclohexanone
SpectraBase Compound ID CEv6bCJBHvw
InChI InChI=1S/C11H18O3/c1-7-5-9(14-8(2)12)6-11(3,4)10(7)13/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKey KWNKODOWAOAZFC-VXNVDRBHSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9hQwHBMw9Bt
Name (4R,6R)-4-Acetoxy-2,2,6-trimethylcyclohexanone
Alternate Name(s) Cyclohexanone, 4-(acetyloxy)-2,2,6-trimethyl-, (2S-trans)- (-)-trans-4-Acetoxy-2,2,6-trimethylcyclohexanone (1R,5R)-3,3,5-trimethyl-4-oxocyclohexyl acetate Acetic acid (1R,5R)-3,3,5-trimethyl-4-oxo-cyclohexyl ester Acetic acid [(1R,5R)-3,3,5-trimethyl-4-oxocyclohexyl] ester [(1R,5R)-3,3,5-trimethyl-4-oxocyclohexyl] acetate [(1R,5R)-3,3,5-trimethyl-4-oxo-cyclohexyl] acetate [(1R,5R)-3,3,5-trimethyl-4-oxidanylidene-cyclohexyl] ethanoate
CAS Registry Number 55058-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-7-5-9(14-8(2)12)6-11(3,4)10(7)13/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKey KWNKODOWAOAZFC-VXNVDRBHSA-N
Molecular Weight 198.262 g/mol
SMILES C1(C([C@](C)(C[C@](C1)(OC(=O)C)[H])[H])=O)(C)C
SPLASH splash10-000x-9600000000-d6f61dd9e06991fb8896
Source of Spectrum SB-51-1208-15
Wiley ID 1195573