| SpectraBase Compound ID | FammNKXslN2 |
|---|---|
| InChI | InChI=1S/C12H17N3O/c1-8-3-2-4-11-14-10-5-6-13-7-9(10)12(16)15(8)11/h8,13H,2-7H2,1H3 |
| InChIKey | CNNVJAXAXDMSJG-UHFFFAOYSA-N |
| Mol Weight | 219.29 g/mol |
| Molecular Formula | C12H17N3O |
| Exact Mass | 219.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jm1FLSVNg1R |
|---|---|
| Name | 9-oxo-1-Methyl-1,2,3,4,5,6,7,8-octahydro-7,10,13-triazaanthrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.137162178 u |
| Formula | C12H17N3O |
| InChI | InChI=1S/C12H17N3O/c1-8-3-2-4-11-14-10-5-6-13-7-9(10)12(16)15(8)11/h8,13H,2-7H2,1H3 |
| InChIKey | CNNVJAXAXDMSJG-UHFFFAOYSA-N |
| Molecular Weight | 219.288 g/mol |
| SMILES | C1(N2C(CCCC2C)=NC2=C1CNCC2)=O |