| SpectraBase Compound ID | 5m71I9GaIoO |
|---|---|
| InChI | InChI=1S/C16H19F3O4/c1-2-3-11-22-13(20)9-10-14(21)23-15(16(17,18)19)12-7-5-4-6-8-12/h4-8,15H,2-3,9-11H2,1H3 |
| InChIKey | IJWPJOGNQNZHEK-UHFFFAOYSA-N |
| Mol Weight | 332.32 g/mol |
| Molecular Formula | C16H19F3O4 |
| Exact Mass | 332.123544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9EF5jX2rEp |
|---|---|
| Name | Succinic acid, butyl 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 | 332.123543577 u |
| Formula | C16H19F3O4 |
| InChI | InChI=1S/C16H19F3O4/c1-2-3-11-22-13(20)9-10-14(21)23-15(16(17,18)19)12-7-5-4-6-8-12/h4-8,15H,2-3,9-11H2,1H3 |
| InChIKey | IJWPJOGNQNZHEK-UHFFFAOYSA-N |
| Molecular Weight | 332.319 g/mol |
| SMILES | C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCC)=O |