| SpectraBase Compound ID | 2IySP5bdo0i |
|---|---|
| InChI | InChI=1S/C13H12N4S/c1-2-17-9-16-11-12(17)14-8-15-13(11)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
| InChIKey | SVVMXFJQKUXEGE-UHFFFAOYSA-N |
| Mol Weight | 256.33 g/mol |
| Molecular Formula | C13H12N4S |
| Exact Mass | 256.078268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6G8eXDsNwba |
|---|---|
| Name | 9H-Purine, 9-ethyl-6-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.078267576 u |
| Formula | C13H12N4S |
| InChI | InChI=1S/C13H12N4S/c1-2-17-9-16-11-12(17)14-8-15-13(11)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
| InChIKey | SVVMXFJQKUXEGE-UHFFFAOYSA-N |
| SMILES | C=12N=CN(C2=NC=NC1SC=1C=CC=CC1)CC |