SpectraBase Compound ID | KSEvS1PHiXp |
---|---|
InChI | InChI=1S/C6H5F5O3/c1-14-4(13)2-3(12)5(7,8)6(9,10)11/h2H2,1H3 |
InChIKey | FGGMNRZYEBHEIR-UHFFFAOYSA-N |
Mol Weight | 220.1 g/mol |
Molecular Formula | C6H5F5O3 |
Exact Mass | 220.015885 g/mol |
SpectraBase Spectrum ID | 23XsyaGaxy4 |
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Name | Methyl pentafluoropropionylacetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.015884833 u |
Formula | C6H5F5O3 |
InChI | InChI=1S/C6H5F5O3/c1-14-4(13)2-3(12)5(7,8)6(9,10)11/h2H2,1H3 |
InChIKey | FGGMNRZYEBHEIR-UHFFFAOYSA-N |
Molecular Weight | 220.095 g/mol |
SMILES | C(C(=O)CC(=O)OC)(F)(F)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972337 |