SpectraBase Compound ID | GYpX9HvI2H1 |
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InChI | InChI=1S/C15H17F3O4/c1-2-21-12(19)9-6-10-13(20)22-14(15(16,17)18)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3 |
InChIKey | MXUMVQXSIURNCR-UHFFFAOYSA-N |
Mol Weight | 318.29 g/mol |
Molecular Formula | C15H17F3O4 |
Exact Mass | 318.107894 g/mol |
SpectraBase Spectrum ID | A1USXTmsoy7 |
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Name | Glutaric acid, ethyl 1-phenyl-2,2,2-trifluoroethyl 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/c1-2-21-12(19)9-6-10-13(20)22-14(15(16,17)18)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3 |
InChIKey | MXUMVQXSIURNCR-UHFFFAOYSA-N |
Molecular Weight | 318.292 g/mol |
SMILES | C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCC)=O |