| SpectraBase Compound ID | Hs3dOMRZbFI |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-2-9-21-13(19)7-8-14(20)22-10-11-5-3-4-6-12(11)15(16,17)18/h3-6H,2,7-10H2,1H3 |
| InChIKey | ZKXLIAPDJPZGMC-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3c5s3bFsrh4 |
|---|---|
| Name | Succinic acid, propyl 2-(trifluoromethyl)benzyl 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/c1-2-9-21-13(19)7-8-14(20)22-10-11-5-3-4-6-12(11)15(16,17)18/h3-6H,2,7-10H2,1H3 |
| InChIKey | ZKXLIAPDJPZGMC-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCCC)=O |