| SpectraBase Compound ID | LT55Fr8tdbE |
|---|---|
| InChI | InChI=1S/C12H11N3O2/c1-8-7-13-12(14-10(8)16)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17) |
| InChIKey | HOPIFAUDYNCMKT-UHFFFAOYSA-N |
| Mol Weight | 229.24 g/mol |
| Molecular Formula | C12H11N3O2 |
| Exact Mass | 229.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mKxqlFxa9V |
|---|---|
| Name | N2-Benzoyl-5-methylisocytosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.085126604 u |
| Formula | C12H11N3O2 |
| InChI | InChI=1S/C12H11N3O2/c1-8-7-13-12(14-10(8)16)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17) |
| InChIKey | HOPIFAUDYNCMKT-UHFFFAOYSA-N |
| Molecular Weight | 229.239 g/mol |
| SMILES | C1=C(C(N=C(NC(C2=CC=CC=C2)=O)N1)=O)C |