| SpectraBase Compound ID | FpcMycXFEoi |
|---|---|
| InChI | InChI=1S/C21H27FO5/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19H,4,9-11H2,1-3H3/t12-,13-,16?,17?,18+,19-,20-,21-/m1/s1 |
| InChIKey | QBWAUDCKUYPUNV-BJOXUXSKSA-N |
| Mol Weight | 378.44 g/mol |
| Molecular Formula | C21H27FO5 |
| Exact Mass | 378.184252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAOQdSCay8y |
|---|---|
| Name | 10.beta.-(p-Fluorophenoxy)dihydroartemisinin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.184252127 u |
| Formula | C21H27FO5 |
| InChI | InChI=1S/C21H27FO5/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19H,4,9-11H2,1-3H3/t12-,13-,16?,17?,18+,19-,20-,21-/m1/s1 |
| InChIKey | QBWAUDCKUYPUNV-BJOXUXSKSA-N |
| Molecular Weight | 378.440 g/mol |
| SMILES | [C@@]123[C@@]4(O[C@@]([C@@](C3CC[C@](C1CC[C@](OO2)(C)O4)(C)[H])(C)[H])(OC=1C=CC(=CC1)F)[H])[H] |