| SpectraBase Compound ID | L9htq4rTL0O |
|---|---|
| InChI | InChI=1S/C6H8F3NO3/c1-2-13-4(11)3-10-5(12)6(7,8)9/h2-3H2,1H3,(H,10,12) |
| InChIKey | OKCDXJWEZHVZJP-UHFFFAOYSA-N |
| Mol Weight | 199.13 g/mol |
| Molecular Formula | C6H8F3NO3 |
| Exact Mass | 199.045628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITJxCULWr6T |
|---|---|
| Name | Ethyl 2-(2,2,2-trifluoroacetamido)acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.045627608 u |
| Formula | C6H8F3NO3 |
| InChI | InChI=1S/C6H8F3NO3/c1-2-13-4(11)3-10-5(12)6(7,8)9/h2-3H2,1H3,(H,10,12) |
| InChIKey | OKCDXJWEZHVZJP-UHFFFAOYSA-N |
| Molecular Weight | 199.129 g/mol |
| SMILES | C(NCC(=O)OCC)(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967749 |