| SpectraBase Compound ID | JTM1A4hMUtL |
|---|---|
| InChI | InChI=1S/C12H16N4O7/c1-5(17)21-3-7-8(19)9(22-6(2)18)12(23-7)16-4-14-11(15-16)10(13)20/h4,7-9,12,19H,3H2,1-2H3,(H2,13,20) |
| InChIKey | SMBWZKDIVMBUPB-UHFFFAOYSA-N |
| Mol Weight | 328.28 g/mol |
| Molecular Formula | C12H16N4O7 |
| Exact Mass | 328.101899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTgO1aCuGBB |
|---|---|
| Name | Ribavarine 3ac P1080 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.101898864 u |
| Formula | C12H16N4O7 |
| InChI | InChI=1S/C12H16N4O7/c1-5(17)21-3-7-8(19)9(22-6(2)18)12(23-7)16-4-14-11(15-16)10(13)20/h4,7-9,12,19H,3H2,1-2H3,(H2,13,20) |
| InChIKey | SMBWZKDIVMBUPB-UHFFFAOYSA-N |
| Molecular Weight | 328.281 g/mol |
| SMILES | C1(C(OC(C)=O)C(N2C=NC(C(N)=O)=N2)OC1COC(C)=O)O |