| SpectraBase Compound ID | Anw2CDK5ivc |
|---|---|
| InChI | InChI=1S/C9H8F3NO2/c10-9(11,12)6-15-8(14)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14) |
| InChIKey | DWYDJEHECXADHP-UHFFFAOYSA-N |
| Mol Weight | 219.16 g/mol |
| Molecular Formula | C9H8F3NO2 |
| Exact Mass | 219.050713 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ABGovgwCOS8 |
|---|---|
| Name | Carbanilic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.050712989 u |
| Formula | C9H8F3NO2 |
| InChI | InChI=1S/C9H8F3NO2/c10-9(11,12)6-15-8(14)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14) |
| InChIKey | DWYDJEHECXADHP-UHFFFAOYSA-N |
| Molecular Weight | 219.163 g/mol |
| SMILES | N(C=1C=CC=CC1)C(OCC(F)(F)F)=O |
| Spectrum/Structure Validation Score (Raman) | 0.959563 |