| SpectraBase Compound ID | IKdUs66bAih |
|---|---|
| InChI | InChI=1S/3C5H5N.C3Cl3N3/c3*1-2-4-6-5-3-1;4-1-7-2(5)9-3(6)8-1/h3*1-5H; |
| InChIKey | UNVDMMITDXSJEZ-UHFFFAOYSA-N |
| Mol Weight | 421.72 g/mol |
| Molecular Formula | C18H15Cl3N6 |
| Exact Mass | 420.042378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KJBMLR1U83 |
|---|---|
| Name | Cyanuric chloride, compound with pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.042377607 u |
| Formula | C18H15Cl3N6 |
| InChI | InChI=1S/3C5H5N.C3Cl3N3/c3*1-2-4-6-5-3-1;4-1-7-2(5)9-3(6)8-1/h3*1-5H; |
| InChIKey | UNVDMMITDXSJEZ-UHFFFAOYSA-N |
| Molecular Weight | 421.719 g/mol |
| SMILES | C1=CC=CC=N1.C=1(N=C(N=C(N1)Cl)Cl)Cl.C1=CC=CC=N1.C1=CC=CC=N1 |