![1,4-Cyclohexanediol, 1-ethynyl-2,2,6-trimethyl-, 4-acetate, [1S-(1.alpha.,4.alpha.,6.beta.)]-](/api/spectrum/40FJtF6tbwq/structure.png?h=300&w=458 "1,4-Cyclohexanediol, 1-ethynyl-2,2,6-trimethyl-, 4-acetate, [1S-(1.alpha.,4.alpha.,6.beta.)]-")
| SpectraBase Compound ID | 59uCrryMld0 |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-6-13(15)9(2)7-11(16-10(3)14)8-12(13,4)5/h1,9,11,15H,7-8H2,2-5H3/t9-,11-,13+/m1/s1 |
| InChIKey | BTVHHQVGKZEMEK-XWIASGKRSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 40FJtF6tbwq |
|---|---|
| Name | 1,4-Cyclohexanediol, 1-ethynyl-2,2,6-trimethyl-, 4-acetate, [1S-(1.alpha.,4.alpha.,6.beta.)]- |
| CAS Registry Number | 70905-65-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-6-13(15)9(2)7-11(16-10(3)14)8-12(13,4)5/h1,9,11,15H,7-8H2,2-5H3/t9-,11-,13+/m1/s1 |
| InChIKey | BTVHHQVGKZEMEK-XWIASGKRSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | O[C@@]1(C(C[C@@](C[C@]1(C)[H])(OC(=O)C)[H])(C)C)C#C |
| SPLASH | splash10-001i-9500000000-4391441831347cc19d90 |
| Source of Spectrum | H-73-871-7 |
| Synonyms | Acetic acid[(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethyl-cyclohexyl]ester [(1R,4S,5R)-4-ethynyl-3,3,5-trimethyl-4-oxidanyl-cyclohexyl]ethanoate [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethyl-cyclohexyl]acetate Acetic acid [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethylcyclohexyl] ester [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethylcyclohexyl] acetate [(1R,4S,5R)-4-ethynyl-4-hydroxy-3,3,5-trimethyl-cyclohexyl] acetate [(1R,4S,5R)-4-ethynyl-3,3,5-trimethyl-4-oxidanyl-cyclohexyl] ethanoate |
| Wiley ID | 1225305 |