| SpectraBase Compound ID | 71p0a2skQxo |
|---|---|
| InChI | InChI=1S/C16H19F3O4/c1-2-3-10-22-14(20)8-9-15(21)23-11-12-6-4-5-7-13(12)16(17,18)19/h4-7H,2-3,8-11H2,1H3 |
| InChIKey | PNECDFKTDMXBJV-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 | 2o9ZUMkex4N |
|---|---|
| Name | Succinic acid, butyl 2-(trifluoromethyl)benzyl 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/c1-2-3-10-22-14(20)8-9-15(21)23-11-12-6-4-5-7-13(12)16(17,18)19/h4-7H,2-3,8-11H2,1H3 |
| InChIKey | PNECDFKTDMXBJV-UHFFFAOYSA-N |
| Molecular Weight | 332.319 g/mol |
| SMILES | C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCCCC)=O |