| SpectraBase Compound ID | 9JwDr2Ddvdc |
|---|---|
| InChI | InChI=1S/C13H8N4O8/c18-13(19)8-3-1-2-4-9(8)14-12-10(16(22)23)5-7(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19) |
| InChIKey | WGTKBFIDYWKWJS-UHFFFAOYSA-N |
| Mol Weight | 348.23 g/mol |
| Molecular Formula | C13H8N4O8 |
| Exact Mass | 348.034213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LI6ub1JqZ4k |
|---|---|
| Name | o-(2,4,6-Trinitroanilino)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.034213226 u |
| Formula | C13H8N4O8 |
| InChI | InChI=1S/C13H8N4O8/c18-13(19)8-3-1-2-4-9(8)14-12-10(16(22)23)5-7(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19) |
| InChIKey | WGTKBFIDYWKWJS-UHFFFAOYSA-N |
| Molecular Weight | 348.227 g/mol |
| SMILES | C1=C(C(=C(C=C1N(=O)=O)N(=O)=O)NC=1C(C(O)=O)=CC=CC1)N(=O)=O |