| SpectraBase Compound ID | LS0AnivbItn |
|---|---|
| InChI | InChI=1S/C10H5F7N2O3/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-2-1-3-6(4-5)19(21)22/h1-4H,(H,18,20) |
| InChIKey | XLJRHHILGOGNKM-UHFFFAOYSA-N |
| Mol Weight | 334.15 g/mol |
| Molecular Formula | C10H5F7N2O3 |
| Exact Mass | 334.018839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHRATJDGOqa |
|---|---|
| Name | 3-Nitroaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.018839167 u |
| Formula | C10H5F7N2O3 |
| InChI | InChI=1S/C10H5F7N2O3/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-2-1-3-6(4-5)19(21)22/h1-4H,(H,18,20) |
| InChIKey | XLJRHHILGOGNKM-UHFFFAOYSA-N |
| Molecular Weight | 334.150 g/mol |
| SMILES | C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=CC=C1)N(=O)=O |