| SpectraBase Compound ID | BJF4ORSuOnC |
|---|---|
| InChI | InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) |
| InChIKey | SUPKOOSCJHTBAH-UHFFFAOYSA-N |
| Mol Weight | 273.19 g/mol |
| Molecular Formula | C8H12N5O4P |
| Exact Mass | 273.062691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgPZaWaRuuG |
|---|---|
| Name | Adefovir |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.062690880 u |
| Formula | C8H12N5O4P |
| InChI | InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) |
| InChIKey | SUPKOOSCJHTBAH-UHFFFAOYSA-N |
| Molecular Weight | 273.189 g/mol |
| SMILES | OP(COCCN1C=NC2=C(N=CN=C12)N)(O)=O |