| SpectraBase Compound ID | 7iNeQuqZubI |
|---|---|
| InChI | InChI=1S/C13H17F3O4/c1-7(17)20-11-3-2-10(19)9-6-8(18)4-5-12(9,11)13(14,15)16/h9-11,19H,2-6H2,1H3/t9-,10+,11-,12+/m0/s1 |
| InChIKey | UPXOVQSBAFRNLW-WHOHXGKFSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C13H17F3O4 |
| Exact Mass | 294.107894 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KUpOttliZQT |
|---|---|
| Name | 5.beta.-acetoxy-8.beta.-hydroxy-3,4,4a.beta.,5,6,7,8,8a.beta.-octahydro-4a-trifluoromethylnaphthalene-2(1H)-one |
| Alternate Name(s) | (1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)decahydro-1-naphthalenyl acetate acetic acid[(1S,4R,4aR,8aR)-4-hydroxy-6-keto-8a-(trifluoromethyl)decalin-1-yl]ester acetic acid[(1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl]ester [(1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl]acetate [(1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)decalin-1-yl]acetate [(1S,4R,4aR,8aR)-4-oxidanyl-6-oxidanylidene-8a-(trifluoromethyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl]ethanoate acetic acid [(1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl] ester [(1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl] acetate [(1S,4R,4aR,8aR)-4-hydroxy-6-oxo-8a-(trifluoromethyl)decalin-1-yl] acetate [(1S,4R,4aR,8aR)-4-oxidanyl-6-oxidanylidene-8a-(trifluoromethyl)-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17F3O4 |
| InChI | InChI=1S/C13H17F3O4/c1-7(17)20-11-3-2-10(19)9-6-8(18)4-5-12(9,11)13(14,15)16/h9-11,19H,2-6H2,1H3/t9-,10+,11-,12+/m0/s1 |
| InChIKey | UPXOVQSBAFRNLW-WHOHXGKFSA-N |
| Molecular Weight | 294.270 g/mol |
| SMILES | O[C@]1([C@]2([C@@](C(F)(F)F)([C@@](OC(=O)C)(CC1)[H])CCC(=O)C2)[H])[H] |
| SPLASH | splash10-014i-0090000000-466eb1d500bd2b7e5ee2 |
| Source of Spectrum | KC-1991-1123-9 |
| Wiley ID | 1296825 |