| SpectraBase Compound ID | 8A71WPJbfAt |
|---|---|
| InChI | InChI=1S/C14H10N4O7/c1-8(19)9-2-4-10(5-3-9)15-14-12(17(22)23)6-11(16(20)21)7-13(14)18(24)25/h2-7,15H,1H3 |
| InChIKey | MCHFZLVGUDDVRO-UHFFFAOYSA-N |
| Mol Weight | 346.26 g/mol |
| Molecular Formula | C14H10N4O7 |
| Exact Mass | 346.054949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfuhNXvyqOo |
|---|---|
| Name | 4'-(2,4,6-Trinitroanilino)acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.054948671 u |
| Formula | C14H10N4O7 |
| InChI | InChI=1S/C14H10N4O7/c1-8(19)9-2-4-10(5-3-9)15-14-12(17(22)23)6-11(16(20)21)7-13(14)18(24)25/h2-7,15H,1H3 |
| InChIKey | MCHFZLVGUDDVRO-UHFFFAOYSA-N |
| Molecular Weight | 346.255 g/mol |
| SMILES | C1(=C(C(=CC(=C1)N(=O)=O)N(=O)=O)NC1=CC=C(C=C1)C(=O)C)N(=O)=O |