| SpectraBase Compound ID | AaNH6osvUzu |
|---|---|
| InChI | InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15) |
| InChIKey | YSRVJVDFHZYRPA-UHFFFAOYSA-N |
| Mol Weight | 218.18 g/mol |
| Molecular Formula | C6H6N10 |
| Exact Mass | 218.07769 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HyECQ1ZzhOh |
|---|---|
| Name | 2,5,8-Triamino-S-heptazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.077690233 u |
| Formula | C6H6N10 |
| InChI | InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15) |
| InChIKey | YSRVJVDFHZYRPA-UHFFFAOYSA-N |
| SMILES | C=1(N=C2N3C(N=C(N=C3N1)N)=NC(=N2)N)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945558 |