SpectraBase Compound ID | JzAo3xsFgI8 |
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InChI | InChI=1S/C15H17F3O4/c1-2-3-6-9-21-13(19)11-7-4-5-8-12(11)14(20)22-10-15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3 |
InChIKey | AXRFBEYIXDFDFK-UHFFFAOYSA-N |
Mol Weight | 318.29 g/mol |
Molecular Formula | C15H17F3O4 |
Exact Mass | 318.107894 g/mol |
SpectraBase Spectrum ID | JAn6pQ95wz0 |
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Name | Phthalic acid, 2,2,2-trifluoroethyl pentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 318.107893512 u |
Formula | C15H17F3O4 |
InChI | InChI=1S/C15H17F3O4/c1-2-3-6-9-21-13(19)11-7-4-5-8-12(11)14(20)22-10-15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3 |
InChIKey | AXRFBEYIXDFDFK-UHFFFAOYSA-N |
Molecular Weight | 318.292 g/mol |
SMILES | C1=CC=CC(=C1C(OCCCCC)=O)C(OCC(F)(F)F)=O |