| SpectraBase Compound ID | 98DYjmWbygo |
|---|---|
| InChI | InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14) |
| InChIKey | XQSPYNMVSIKCOC-UHFFFAOYSA-N |
| Mol Weight | 247.24 g/mol |
| Molecular Formula | C8H10FN3O3S |
| Exact Mass | 247.042691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPgcB42AJNV |
|---|---|
| Name | Emtricitabine P583 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.042690528 u |
| Formula | C8H10FN3O3S |
| InChI | InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14) |
| InChIKey | XQSPYNMVSIKCOC-UHFFFAOYSA-N |
| Molecular Weight | 247.244 g/mol |
| SMILES | C1(N(C=C(C(=N1)N)F)C1CSC(O1)CO)=O |