| SpectraBase Compound ID | HXWG2xIMw5G |
|---|---|
| InChI | InChI=1S/C7H8N4S/c1-11-6-5(3-8-4-9-6)10-7(11)12-2/h3-4H,1-2H3 |
| InChIKey | CHVNAJCSHLYMRZ-UHFFFAOYSA-N |
| Mol Weight | 180.23 g/mol |
| Molecular Formula | C7H8N4S |
| Exact Mass | 180.046967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYTJ1amL2M9 |
|---|---|
| Name | 8-(Methylthio)-9-methylpurine |
| CAS Registry Number | 24851-51-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H8N4S |
| InChI | InChI=1S/C7H8N4S/c1-11-6-5(3-8-4-9-6)10-7(11)12-2/h3-4H,1-2H3 |
| InChIKey | CHVNAJCSHLYMRZ-UHFFFAOYSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | J. Org. Chem. 48, 850 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |