| SpectraBase Compound ID | DBPwV2KbQIM |
|---|---|
| InChI | InChI=1S/C13H14F3N3O4/c14-13(15,16)8-6-10(18(20)21)12(11(7-8)19(22)23)17-9-4-2-1-3-5-9/h6-7,9,17H,1-5H2 |
| InChIKey | BPONCRGKKXZYJF-UHFFFAOYSA-N |
| Mol Weight | 333.27 g/mol |
| Molecular Formula | C13H14F3N3O4 |
| Exact Mass | 333.09364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ewgo4ONe196 |
|---|---|
| Name | 2,6-Dinitro-4-trifluoromethyl-N-cyclohexylaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.093640428 u |
| Formula | C13H14F3N3O4 |
| InChI | InChI=1S/C13H14F3N3O4/c14-13(15,16)8-6-10(18(20)21)12(11(7-8)19(22)23)17-9-4-2-1-3-5-9/h6-7,9,17H,1-5H2 |
| InChIKey | BPONCRGKKXZYJF-UHFFFAOYSA-N |
| Molecular Weight | 333.267 g/mol |
| SMILES | C1(=C(C=C(C=C1N(=O)=O)C(F)(F)F)N(=O)=O)NC1CCCCC1 |