| SpectraBase Compound ID | 75UUCETvef1 |
|---|---|
| InChI | InChI=1S/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3 |
| InChIKey | NCPVPJVRLLHBEL-UHFFFAOYSA-N |
| Mol Weight | 221.14 g/mol |
| Molecular Formula | C8H6F3NO3 |
| Exact Mass | 221.029978 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IQt4FHpjTdx |
|---|---|
| Name | 3-Methoxy-5-nitrobenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.029977543 u |
| Formula | C8H6F3NO3 |
| InChI | InChI=1S/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3 |
| InChIKey | NCPVPJVRLLHBEL-UHFFFAOYSA-N |
| Molecular Weight | 221.135 g/mol |
| SMILES | COC1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.811347 |