| SpectraBase Compound ID | 3InPHpIgaq |
|---|---|
| InChI | InChI=1S/C14H21F3O4/c1-9-3-5-11(6-4-9)21-13(19)8-7-12(18)20-10(2)14(15,16)17/h9-11H,3-8H2,1-2H3 |
| InChIKey | KNYVTMOOHSPWOG-UHFFFAOYSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C14H21F3O4 |
| Exact Mass | 310.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGHHuDLlhq8 |
|---|---|
| Name | Succinic acid, 1,1,1-trifluoroprop-2-yl cis-4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.139193641 u |
| Formula | C14H21F3O4 |
| InChI | InChI=1S/C14H21F3O4/c1-9-3-5-11(6-4-9)21-13(19)8-7-12(18)20-10(2)14(15,16)17/h9-11H,3-8H2,1-2H3 |
| InChIKey | KNYVTMOOHSPWOG-UHFFFAOYSA-N |
| Molecular Weight | 310.313 g/mol |
| SMILES | C(CC(OC(C)C(F)(F)F)=O)C(OC1CCC(C)CC1)=O |