| SpectraBase Compound ID | 76IYrIsKrf9 |
|---|---|
| InChI | InChI=1S/C11H12ClN5/c1-7-2-4-8(5-3-7)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17) |
| InChIKey | NDCXQFXHUZSBIB-UHFFFAOYSA-N |
| Mol Weight | 249.71 g/mol |
| Molecular Formula | C11H12ClN5 |
| Exact Mass | 249.078123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeJiqgmEWq6 |
|---|---|
| Name | 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N(2)-(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.078123106 u |
| Formula | C11H12ClN5 |
| InChI | InChI=1S/C11H12ClN5/c1-7-2-4-8(5-3-7)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17) |
| InChIKey | NDCXQFXHUZSBIB-UHFFFAOYSA-N |
| Molecular Weight | 249.705 g/mol |
| SMILES | C1=CC(NC2=NC(=NC(CCl)=N2)N)=CC=C1C |