| SpectraBase Compound ID | 1VuvRPPDg3L |
|---|---|
| InChI | InChI=1S/C6H6F3O4.C6H15N/c1-12-4(10)3(5(11)13-2)6(7,8)9;1-4-7(5-2)6-3/h1-2H3;4-6H2,1-3H3/q-1;/p+1 |
| InChIKey | FUBDSKOMFIROSH-UHFFFAOYSA-O |
| Mol Weight | 301.31 g/mol |
| Molecular Formula | C12H22F3NO4 |
| Exact Mass | 301.150093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDU0lbzPXeX |
|---|---|
| Name | Dimethyl trifluoromethylmalonate, triethylammonium salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.150092677 u |
| Formula | C12H22F3NO4 |
| InChI | InChI=1S/C6H6F3O4.C6H15N/c1-12-4(10)3(5(11)13-2)6(7,8)9;1-4-7(5-2)6-3/h1-2H3;4-6H2,1-3H3/q-1;/p+1 |
| InChIKey | FUBDSKOMFIROSH-UHFFFAOYSA-O |
| Molecular Weight | 301.306 g/mol |
| SMILES | C([NH+](CC)CC)C.[C-](C(=O)OC)(C(=O)OC)C(F)(F)F |