| SpectraBase Compound ID | FfHXWfRcJyr |
|---|---|
| InChI | InChI=1S/C15H11N5O4/c21-19(22)14-16-15(20(23)24)18(17-14)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | XDGWSJKSCQKDJO-UHFFFAOYSA-N |
| Mol Weight | 325.28 g/mol |
| Molecular Formula | C15H11N5O4 |
| Exact Mass | 325.081104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DO7FkPbG2BS |
|---|---|
| Name | 1H-1,2,4-Triazole, 1-(diphenylmethyl)-3,5-dinitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.081103850 u |
| Formula | C15H11N5O4 |
| InChI | InChI=1S/C15H11N5O4/c21-19(22)14-16-15(20(23)24)18(17-14)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | XDGWSJKSCQKDJO-UHFFFAOYSA-N |
| Molecular Weight | 325.284 g/mol |
| SMILES | C1(=NC([N+]([O-])=O)=NN1C(C=1C=CC=CC1)C1=CC=CC=C1)[N+]([O-])=O |