| SpectraBase Compound ID | 3f2KIW50uaw |
|---|---|
| InChI | InChI=1S/C12H7ClN4O6/c13-7-2-1-3-8(4-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H |
| InChIKey | GSRLJZRKZZUSPA-UHFFFAOYSA-N |
| Mol Weight | 338.66 g/mol |
| Molecular Formula | C12H7ClN4O6 |
| Exact Mass | 338.005412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 476s8bsqUeH |
|---|---|
| Name | 3'-Chloro-2,4,6-trinitrodiphenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.005411655 u |
| Formula | C12H7ClN4O6 |
| InChI | InChI=1S/C12H7ClN4O6/c13-7-2-1-3-8(4-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H |
| InChIKey | GSRLJZRKZZUSPA-UHFFFAOYSA-N |
| Molecular Weight | 338.663 g/mol |
| SMILES | C1(=C(C=C(C=C1N(=O)=O)N(=O)=O)N(=O)=O)NC1=CC=CC(=C1)Cl |