| SpectraBase Compound ID | EgkLR8ceZD2 |
|---|---|
| InChI | InChI=1S/2C8H11N5O2.H2O/c2*1-12-6(9)5-7(11-8(12)14)13(3-10-5)4-15-2;/h2*3,9H,4H2,1-2H3,(H,11,14);1H2 |
| InChIKey | WDNRMUZTNVOGRR-UHFFFAOYSA-N |
| Mol Weight | 218.216 g/mol |
| Molecular Formula | C8H11N5O2·½H2O |
| Exact Mass | 218.096557 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EIrsa1hQnV |
|---|---|
| Name | 9-(methoxymethyl)-1-methylisoguanine, hemihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H13N5O3 |
| InChI | InChI=1S/2C8H11N5O2.H2O/c2*1-12-6(9)5-7(11-8(12)14)13(3-10-5)4-15-2;/h2*3,9H,4H2,1-2H3,(H,11,14);1H2 |
| InChIKey | WDNRMUZTNVOGRR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43079M |
| Solvent | Polysol-d |