SpectraBase Compound ID | Dt6FT4j93Nv |
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InChI | InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3 |
InChIKey | WXBWKMLIVXELSF-UHFFFAOYSA-N |
Mol Weight | 141.09 g/mol |
Molecular Formula | C4H6F3NO |
Exact Mass | 141.040148 g/mol |
SpectraBase Spectrum ID | 3FAEX1Ae9sq |
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Name | 2,2,2-Trifluoro-N,N-dimethylacetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 141.040148305 u |
Formula | C4H6F3NO |
InChI | InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3 |
InChIKey | WXBWKMLIVXELSF-UHFFFAOYSA-N |
Molecular Weight | 141.093 g/mol |
SMILES | C(F)(F)(F)C(N(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.970793 |