| SpectraBase Compound ID | 51rmD6lV3lg |
|---|---|
| InChI | InChI=1S/C12H19F3O4/c1-8(2)6-7-18-10(16)4-5-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | RFUYXEIKLVVOEM-UHFFFAOYSA-N |
| Mol Weight | 284.28 g/mol |
| Molecular Formula | C12H19F3O4 |
| Exact Mass | 284.123544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7stsYw8U4IB |
|---|---|
| Name | Succinic acid, 3-methylbutyl 1,1,1-trifluoro-2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.123543577 u |
| Formula | C12H19F3O4 |
| InChI | InChI=1S/C12H19F3O4/c1-8(2)6-7-18-10(16)4-5-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | RFUYXEIKLVVOEM-UHFFFAOYSA-N |
| Molecular Weight | 284.275 g/mol |
| SMILES | CC(C)CCOC(CCC(=O)OC(C(F)(F)F)C)=O |