SpectraBase Compound ID | LiLrRBiVG5y |
---|---|
InChI | InChI=1S/C13H9F7O3/c14-11(15,12(16,17)13(18,19)20)10(21)22-6-8-9(23-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
InChIKey | BGSKKLRTIMZJGL-UHFFFAOYSA-N |
Mol Weight | 346.2 g/mol |
Molecular Formula | C13H9F7O3 |
Exact Mass | 346.043991 g/mol |
SpectraBase Spectrum ID | AWUdjAemQza |
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Name | (3-Phenyloxiran-2-yl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 346.043991288 u |
Formula | C13H9F7O3 |
InChI | InChI=1S/C13H9F7O3/c14-11(15,12(16,17)13(18,19)20)10(21)22-6-8-9(23-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
InChIKey | BGSKKLRTIMZJGL-UHFFFAOYSA-N |
Molecular Weight | 346.201 g/mol |
SMILES | C1=CC=CC=C1C1C(COC(=O)C(C(F)(C(F)(F)F)F)(F)F)O1 |