| SpectraBase Compound ID | 1aBu5EEsq31 |
|---|---|
| InChI | InChI=1S/C16H21N5O5/c1-10(22)19-16-17-6-14-15(20-16)21(9-18-14)5-4-13(7-25-11(2)23)8-26-12(3)24/h6,9,13H,4-5,7-8H2,1-3H3,(H,17,19,20,22) |
| InChIKey | YVPKBRSEPCIJTF-UHFFFAOYSA-N |
| Mol Weight | 363.37 g/mol |
| Molecular Formula | C16H21N5O5 |
| Exact Mass | 363.154269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9R0KRmeHtaJ |
|---|---|
| Name | Famciclovir ac P1278 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.154268791 u |
| Formula | C16H21N5O5 |
| InChI | InChI=1S/C16H21N5O5/c1-10(22)19-16-17-6-14-15(20-16)21(9-18-14)5-4-13(7-25-11(2)23)8-26-12(3)24/h6,9,13H,4-5,7-8H2,1-3H3,(H,17,19,20,22) |
| InChIKey | YVPKBRSEPCIJTF-UHFFFAOYSA-N |
| Molecular Weight | 363.374 g/mol |
| SMILES | C(COC(C)=O)(CCN1C2=NC(NC(C)=O)=NC=C2N=C1)COC(C)=O |