| SpectraBase Compound ID | 3OGs6g0XaKl |
|---|---|
| InChI | InChI=1S/C14H12N4O2/c19-13-16-18(12-9-5-2-6-10-12)14(20)15-17(13)11-7-3-1-4-8-11/h1-10H,(H,15,20)(H,16,19) |
| InChIKey | PQCPZFSRTXQKIP-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C14H12N4O2 |
| Exact Mass | 268.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7EmjwWRnvbn |
|---|---|
| Name | 1,4-Diphenyl-1,4-dihydro-1,2,4,5-tetrazine-3,6(2H,5H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.096025640 u |
| Formula | C14H12N4O2 |
| InChI | InChI=1S/C14H12N4O2/c19-13-16-18(12-9-5-2-6-10-12)14(20)15-17(13)11-7-3-1-4-8-11/h1-10H,(H,15,20)(H,16,19) |
| InChIKey | PQCPZFSRTXQKIP-UHFFFAOYSA-N |
| SMILES | C1(N(NC(N(N1)C=1C=CC=CC1)=O)C1=CC=CC=C1)=O |