| SpectraBase Compound ID | 6rPixPjciUz |
|---|---|
| InChI | InChI=1S/C13H17F3O3/c1-8(17)19-11-4-2-3-9-7-10(18)5-6-12(9,11)13(14,15)16/h2-3,9-11,18H,4-7H2,1H3/t9-,10+,11+,12-/m1/s1 |
| InChIKey | BOUGOTTUADDGMF-NOOOWODRSA-N |
| Mol Weight | 278.27 g/mol |
| Molecular Formula | C13H17F3O3 |
| Exact Mass | 278.112979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 29sfrOdh50W |
|---|---|
| Name | 5.beta.-Acetoxy-2,3,4,4a,5,6,7,8-octahydro-4a-(trifluotromethyl)naphthalen-2.beta.-ol isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17F3O3 |
| InChI | InChI=1S/C13H17F3O3/c1-8(17)19-11-4-2-3-9-7-10(18)5-6-12(9,11)13(14,15)16/h2-3,9-11,18H,4-7H2,1H3/t9-,10+,11+,12-/m1/s1 |
| InChIKey | BOUGOTTUADDGMF-NOOOWODRSA-N |
| Molecular Weight | 278.271 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C(F)(F)F)[C@](C=CC[C@@]2(OC(=O)C)[H])(C1)[H])[H] |
| SPLASH | splash10-000x-8900000000-ed55aee9ee2256dd2fb3 |
| Source of Spectrum | KC-0-1919-20 |
| Synonyms | 5.beta.4a-.beta.-Acetoxy-2,3,4,4a,5,6,7,8-octahydro-4a-(trifluotromethyl)naphthalen-2.beta.-ol isomer Acetic acid (1S,4aS,6S,8aR)-6-hydroxy-8a-trifluoromethyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl ester [(1S,4aS,6S,8aR)-6-hydroxy-8a-(trifluoromethyl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] acetate [(1S,4aS,6S,8aR)-6-oxidanyl-8a-(trifluoromethyl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] ethanoate |
| Wiley ID | 822877 |