| SpectraBase Compound ID | EeXPMSQyaoz |
|---|---|
| InChI | InChI=1S/C12H13N3O/c1-8-3-2-4-11-14-10-5-6-13-7-9(10)12(16)15(8)11/h5-8H,2-4H2,1H3 |
| InChIKey | QFQFMXYFNNNHPA-UHFFFAOYSA-N |
| Mol Weight | 215.26 g/mol |
| Molecular Formula | C12H13N3O |
| Exact Mass | 215.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HW8bYSGJFz1 |
|---|---|
| Name | 9-oxo-1-Methyl-1,2,3,4-tetrahydro-7,10,13-triazaanthrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.105862050 u |
| Formula | C12H13N3O |
| InChI | InChI=1S/C12H13N3O/c1-8-3-2-4-11-14-10-5-6-13-7-9(10)12(16)15(8)11/h5-8H,2-4H2,1H3 |
| InChIKey | QFQFMXYFNNNHPA-UHFFFAOYSA-N |
| Molecular Weight | 215.256 g/mol |
| SMILES | C1(N2C(=NC=3C=CN=CC13)CCCC2C)=O |