| SpectraBase Compound ID | 10C4eYu6Ffx |
|---|---|
| InChI | InChI=1S/C16H11ClN4S/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2 |
| InChIKey | DBQHOROOVOCDLA-UHFFFAOYSA-N |
| Mol Weight | 326.81 g/mol |
| Molecular Formula | C16H11ClN4S |
| Exact Mass | 326.039295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZSgL5Zzgom |
|---|---|
| Name | 2-Chloranyl-9-(phenylmethyl)-6-thiophen-2-yl-purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.039295244 u |
| Formula | C16H11ClN4S |
| InChI | InChI=1S/C16H11ClN4S/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2 |
| InChIKey | DBQHOROOVOCDLA-UHFFFAOYSA-N |
| Molecular Weight | 326.805 g/mol |
| SMILES | C1=2C(N(CC=3C=CC=CC3)C=N1)=NC(=NC2C=1SC=CC1)Cl |