| SpectraBase Compound ID | BJm8WDztIEi |
|---|---|
| InChI | InChI=1S/C22H27F3O7/c1-4-16-17(10-14(19(27)30-3)11-18(16)32-13(2)26)31-12-21(20(28)29,22(23,24)25)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-12H2,1-3H3,(H,28,29)/t14-,16+,17+,18-,21+/m1/s1 |
| InChIKey | OUAVHENIHLRXTG-RCHULGBISA-N |
| Mol Weight | 460.45 g/mol |
| Molecular Formula | C22H27F3O7 |
| Exact Mass | 460.170888 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GwrLhb7fogB |
|---|---|
| Name | (+)-(1R,3S,4S,5R)-5-Acetoxy-3-hydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane (S)-MTPA ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27F3O7 |
| InChI | InChI=1S/C22H27F3O7/c1-4-16-17(10-14(19(27)30-3)11-18(16)32-13(2)26)31-12-21(20(28)29,22(23,24)25)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-12H2,1-3H3,(H,28,29)/t14-,16+,17+,18-,21+/m1/s1 |
| InChIKey | OUAVHENIHLRXTG-RCHULGBISA-N |
| Molecular Weight | 460.446 g/mol |
| SMILES | OC([C@](C(F)(F)F)(CO[C@@]1([C@@]([C@](OC(=O)C)(C[C@@](C1)(C(=O)OC)[H])[H])(CC)[H])[H])c1ccccc1)=O |
| SPLASH | splash10-0006-9810000000-57869f087b236f04ad8c |
| Source of Spectrum | QC-11-3899-15 |
| Wiley ID | 860125 |