SpectraBase Compound ID | KTfqRYhgCOi |
---|---|
InChI | InChI=1S/C2ClF3O/c3-1(7)2(4,5)6 |
InChIKey | PNQBEPDZQUOCNY-UHFFFAOYSA-N |
Mol Weight | 132.47 g/mol |
Molecular Formula | C2ClF3O |
Exact Mass | 131.958977 g/mol |
SpectraBase Spectrum ID | 4GckM1HePF7 |
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Name | Trifluoroacetyl-chloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 131.958976808 u |
Formula | C2ClF3O |
InChI | InChI=1S/C2ClF3O/c3-1(7)2(4,5)6 |
InChIKey | PNQBEPDZQUOCNY-UHFFFAOYSA-N |
Molecular Weight | 132.469 g/mol |
SMILES | C(F)(F)(F)C(=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879587 |