| SpectraBase Compound ID | 1pIO2fyTCoD |
|---|---|
| InChI | InChI=1S/C14H10N4O8/c1-8(19)26-11-4-2-9(3-5-11)15-14-12(17(22)23)6-10(16(20)21)7-13(14)18(24)25/h2-7,15H,1H3 |
| InChIKey | JFHNNTKFEFKOTE-UHFFFAOYSA-N |
| Mol Weight | 362.25 g/mol |
| Molecular Formula | C14H10N4O8 |
| Exact Mass | 362.049863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JylGQMejybA |
|---|---|
| Name | p-(2,4,6-Trinitroanilino)phenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.049863290 u |
| Formula | C14H10N4O8 |
| InChI | InChI=1S/C14H10N4O8/c1-8(19)26-11-4-2-9(3-5-11)15-14-12(17(22)23)6-10(16(20)21)7-13(14)18(24)25/h2-7,15H,1H3 |
| InChIKey | JFHNNTKFEFKOTE-UHFFFAOYSA-N |
| Molecular Weight | 362.254 g/mol |
| SMILES | C1(=C(C=C(C=C1N(=O)=O)N(=O)=O)N(=O)=O)NC1=CC=C(C=C1)OC(C)=O |