| SpectraBase Compound ID | EfdvkMMVWNj |
|---|---|
| InChI | InChI=1S/C12H8N4O2S/c17-12(18-8-4-2-1-3-5-8)19-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H,13,14,15,16) |
| InChIKey | NTDTWVZMZPREFH-UHFFFAOYSA-N |
| Mol Weight | 272.28 g/mol |
| Molecular Formula | C12H8N4O2S |
| Exact Mass | 272.036797 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XodjleveY9 |
|---|---|
| Name | Thiocarbonic acid o-phenyl-S-purin-6-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.036796686 u |
| Formula | C12H8N4O2S |
| InChI | InChI=1S/C12H8N4O2S/c17-12(18-8-4-2-1-3-5-8)19-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H,13,14,15,16) |
| InChIKey | NTDTWVZMZPREFH-UHFFFAOYSA-N |
| SMILES | C12=C(C(=NC=N2)SC(OC2=CC=CC=C2)=O)NC=N1 |