| SpectraBase Compound ID | GvkMc9PuSa |
|---|---|
| InChI | InChI=1S/C9H8F3NO/c10-9(11,12)6-13-8(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14) |
| InChIKey | MWDZXUOUTGAFAL-UHFFFAOYSA-N |
| Mol Weight | 203.16 g/mol |
| Molecular Formula | C9H8F3NO |
| Exact Mass | 203.055798 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jiSUEvYudk |
|---|---|
| Name | N-(2,2,2-Trifluoroethyl)benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.055798370 u |
| Formula | C9H8F3NO |
| InChI | InChI=1S/C9H8F3NO/c10-9(11,12)6-13-8(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14) |
| InChIKey | MWDZXUOUTGAFAL-UHFFFAOYSA-N |
| Molecular Weight | 203.164 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)NCC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814646 |