| SpectraBase Compound ID | 682TIpaFVMl |
|---|---|
| InChI | InChI=1S/C12H9N5O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H,13H2 |
| InChIKey | QNVCUILTTLHMCW-UHFFFAOYSA-N |
| Mol Weight | 319.23 g/mol |
| Molecular Formula | C12H9N5O6 |
| Exact Mass | 319.055283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CW3NfYtAYgG |
|---|---|
| Name | N-(2,4,6-Trinitrophenyl)-p-phenylenediamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.055283024 u |
| Formula | C12H9N5O6 |
| InChI | InChI=1S/C12H9N5O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H,13H2 |
| InChIKey | QNVCUILTTLHMCW-UHFFFAOYSA-N |
| Molecular Weight | 319.233 g/mol |
| SMILES | C1(=C(C(=CC(=C1)N(=O)=O)N(=O)=O)NC1=CC=C(C=C1)N)N(=O)=O |