| SpectraBase Compound ID | GJfhc6m6Zm8 |
|---|---|
| InChI | InChI=1S/C16H19F3O4/c1-11(2)9-22-14(20)7-8-15(21)23-10-12-5-3-4-6-13(12)16(17,18)19/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | JGCUCVAGRSZHCG-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 | 1sT9n5SORo6 |
|---|---|
| Name | Succinic acid, isobutyl 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/c1-11(2)9-22-14(20)7-8-15(21)23-10-12-5-3-4-6-13(12)16(17,18)19/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | JGCUCVAGRSZHCG-UHFFFAOYSA-N |
| Molecular Weight | 332.319 g/mol |
| SMILES | C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCC(C)C)=O |