| SpectraBase Compound ID | 70swaMIOEtv |
|---|---|
| InChI | InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13) |
| InChIKey | FOBJABJCODOMEO-UHFFFAOYSA-N |
| Mol Weight | 213.05 g/mol |
| Molecular Formula | C4H2F7NO |
| Exact Mass | 213.002461 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | PA55BXrK8Y |
|---|---|
| Name | 2,2,3,3,4,4,4-Heptafluorobutyramide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.002460828 u |
| Formula | C4H2F7NO |
| InChI | InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13) |
| InChIKey | FOBJABJCODOMEO-UHFFFAOYSA-N |
| Molecular Weight | 213.055 g/mol |
| SMILES | NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.897351 |