![7-[p-Nitrobenzyl]guanine](/api/spectrum/2Qw1lqpwwyr/structure.png?h=300&w=458 "7-[p-Nitrobenzyl]guanine")
| SpectraBase Compound ID | 4UaPnt8uQ1l |
|---|---|
| InChI | InChI=1S/C12H10N6O3/c13-12-15-10-9(11(19)16-12)17(6-14-10)5-7-1-3-8(4-2-7)18(20)21/h1-4,6H,5H2,(H3,13,15,16,19) |
| InChIKey | QIUWNHBWOZFDDK-UHFFFAOYSA-N |
| Mol Weight | 286.25 g/mol |
| Molecular Formula | C12H10N6O3 |
| Exact Mass | 286.081438 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Qw1lqpwwyr |
|---|---|
| Name | 7-[p-Nitrobenzyl]guanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.081438203 u |
| Formula | C12H10N6O3 |
| InChI | InChI=1S/C12H10N6O3/c13-12-15-10-9(11(19)16-12)17(6-14-10)5-7-1-3-8(4-2-7)18(20)21/h1-4,6H,5H2,(H3,13,15,16,19) |
| InChIKey | QIUWNHBWOZFDDK-UHFFFAOYSA-N |
| Molecular Weight | 286.251 g/mol |
| SMILES | C12=C(C(NC(=N2)N)=O)N(CC2=CC=C(C=C2)N(=O)=O)C=N1 |