| SpectraBase Compound ID | IxtmgyGeDuD |
|---|---|
| InChI | InChI=1S/C13H19N3O/c1-2-17-13-8-6-12(7-9-13)14-15-16-10-4-3-5-11-16/h6-9H,2-5,10-11H2,1H3/b15-14+ |
| InChIKey | QPVJAEODXDZITD-CCEZHUSRSA-N |
| Mol Weight | 233.31 g/mol |
| Molecular Formula | C13H19N3O |
| Exact Mass | 233.152812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIMDCfXKBMn |
|---|---|
| Name | 1-(4-Ethoxyphenyl)-3,3-pentamethylenetriazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.152812243 u |
| Formula | C13H19N3O |
| InChI | InChI=1S/C13H19N3O/c1-2-17-13-8-6-12(7-9-13)14-15-16-10-4-3-5-11-16/h6-9H,2-5,10-11H2,1H3/b15-14+ |
| InChIKey | QPVJAEODXDZITD-CCEZHUSRSA-N |
| Molecular Weight | 233.315 g/mol |
| SMILES | C1N(\N=N\C2=CC=C(OCC)C=C2)CCCC1 |