| SpectraBase Compound ID | 9wfeSUbl6SN |
|---|---|
| InChI | InChI=1S/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3 |
| InChIKey | XGYBRXYMSSZKPY-UHFFFAOYSA-N |
| Mol Weight | 234.18 g/mol |
| Molecular Formula | C9H9F3N2O2 |
| Exact Mass | 234.061612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1G9l6k3h8kD |
|---|---|
| Name | N-Ethyl-2-nitro-4-(trifluoromethyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.061612025 u |
| Formula | C9H9F3N2O2 |
| InChI | InChI=1S/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3 |
| InChIKey | XGYBRXYMSSZKPY-UHFFFAOYSA-N |
| Molecular Weight | 234.178 g/mol |
| SMILES | C1(NCC)=C(C=C(C=C1)C(F)(F)F)N(=O)=O |