| SpectraBase Compound ID | HofPaOyf68b |
|---|---|
| InChI | InChI=1S/C14H12N4O6/c1-2-9-5-3-4-6-11(9)15-14-12(17(21)22)7-10(16(19)20)8-13(14)18(23)24/h3-8,15H,2H2,1H3 |
| InChIKey | JGCXFEODEUDVAC-UHFFFAOYSA-N |
| Mol Weight | 332.27 g/mol |
| Molecular Formula | C14H12N4O6 |
| Exact Mass | 332.075684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXAEKNm5bSt |
|---|---|
| Name | 2'-Ethyl-2,4,6-trinitrodiphenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.075684116 u |
| Formula | C14H12N4O6 |
| InChI | InChI=1S/C14H12N4O6/c1-2-9-5-3-4-6-11(9)15-14-12(17(21)22)7-10(16(19)20)8-13(14)18(23)24/h3-8,15H,2H2,1H3 |
| InChIKey | JGCXFEODEUDVAC-UHFFFAOYSA-N |
| Molecular Weight | 332.272 g/mol |
| SMILES | N(C=1C(=CC=CC1)CC)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |