![1,4-Dihydro-3-phenylimino-1,2,4-triazolo[3,2-C]-1,2,4-triazine-4-one](/api/spectrum/41FL7MMIl38/structure.png?h=300&w=458 "1,4-Dihydro-3-phenylimino-1,2,4-triazolo[3,2-C]-1,2,4-triazine-4-one")
| SpectraBase Compound ID | 5jbQHsaOeR8 |
|---|---|
| InChI | InChI=1S/C10H8N6O/c17-9-8(13-7-4-2-1-3-5-7)14-15-10-11-6-12-16(9)10/h1-6H,(H,13,14)(H,11,12,15) |
| InChIKey | RKELVPFBENFBCV-UHFFFAOYSA-N |
| Mol Weight | 228.21 g/mol |
| Molecular Formula | C10H8N6O |
| Exact Mass | 228.075959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41FL7MMIl38 |
|---|---|
| Name | 1,4-Dihydro-3-phenylimino-1,2,4-triazolo[3,2-C]-1,2,4-triazine-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.075958901 u |
| Formula | C10H8N6O |
| InChI | InChI=1S/C10H8N6O/c17-9-8(13-7-4-2-1-3-5-7)14-15-10-11-6-12-16(9)10/h1-6H,(H,13,14)(H,11,12,15) |
| InChIKey | RKELVPFBENFBCV-UHFFFAOYSA-N |
| Molecular Weight | 228.215 g/mol |
| SMILES | C1=NN2C(C(NC3=CC=CC=C3)=NNC2=N1)=O |