| SpectraBase Compound ID | q4zOSornLF |
|---|---|
| InChI | InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2 |
| InChIKey | YCGFVAPIBALHRT-UHFFFAOYSA-N |
| Mol Weight | 222.12 g/mol |
| Molecular Formula | C7H5F3N2O3 |
| Exact Mass | 222.025227 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7RIecpuPN1k |
|---|---|
| Name | 2-Nitro-4-(trifluoromethoxy)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.025226515 u |
| Formula | C7H5F3N2O3 |
| InChI | InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2 |
| InChIKey | YCGFVAPIBALHRT-UHFFFAOYSA-N |
| Molecular Weight | 222.123 g/mol |
| SMILES | C(F)(F)(F)OC=1C=C(C(=CC1)N)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.721968 |