SpectraBase Compound ID | CEv6bCJBHvw |
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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 |
SpectraBase Spectrum ID | Iv3RMNIUIfE |
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Name | (4R,6R)-4-Acetoxy-2,2,6-trimethylcyclohexanone |
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 | splash10-000l-9200000000-c31de73b8bc73d3d6d61 |
Source of Spectrum | H-73-872-15 |
Synonyms | 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 |
Wiley ID | 1195536 |