| SpectraBase Compound ID | DAfKLlHGEDX |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-6-12-9(2)7-11(15-10(3)14)8-13(12,4)5/h1,11H,7-8H2,2-5H3/t11-/m1/s1 |
| InChIKey | SFTHJEBLEODFEE-LLVKDONJSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3GoboNkiekL |
|---|---|
| Name | (R)-4-Ethynyl-3,5,5-trimethylcyclohex-3-enyl Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-6-12-9(2)7-11(15-10(3)14)8-13(12,4)5/h1,11H,7-8H2,2-5H3/t11-/m1/s1 |
| InChIKey | SFTHJEBLEODFEE-LLVKDONJSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1(=C(C[C@](CC1(C)C)(OC(=O)C)[H])C)C#C |
| SPLASH | splash10-001l-2900000000-53127adcbce804a86909 |
| Source of Spectrum | H-73-871-8 |
| Synonyms | (1R)-4-ethynyl-3,5,5-trimethyl-3-cyclohexen-1-yl acetate Acetic acid[(1R)-4-ethynyl-3,5,5-trimethyl-1-cyclohex-3-enyl]ester Acetic acid[(1R)-4-ethynyl-3,5,5-trimethyl-cyclohex-3-en-1-yl]ester [(1R)-4-ethynyl-3,5,5-trimethyl-cyclohex-3-en-1-yl]acetate [(1R)-4-ethynyl-3,5,5-trimethyl-cyclohex-3-en-1-yl]ethanoate Acetic acid [(1R)-4-ethynyl-3,5,5-trimethyl-1-cyclohex-3-enyl] ester [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl] acetate [(1R)-4-ethynyl-3,5,5-trimethyl-cyclohex-3-en-1-yl] acetate [(1R)-4-ethynyl-3,5,5-trimethyl-cyclohex-3-en-1-yl] ethanoate |
| Wiley ID | 1204735 |