| SpectraBase Compound ID | 2vl5R7rzyGo |
|---|---|
| InChI | InChI=1S/C14H14ClF3O4/c1-9(14(16,17)18)21-12(19)7-4-8-13(20)22-11-6-3-2-5-10(11)15/h2-3,5-6,9H,4,7-8H2,1H3 |
| InChIKey | CANRIWLSFABURK-UHFFFAOYSA-N |
| Mol Weight | 338.71 g/mol |
| Molecular Formula | C14H14ClF3O4 |
| Exact Mass | 338.053271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AI3LbFERrIg |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.053271116 u |
| Formula | C14H14ClF3O4 |
| InChI | InChI=1S/C14H14ClF3O4/c1-9(14(16,17)18)21-12(19)7-4-8-13(20)22-11-6-3-2-5-10(11)15/h2-3,5-6,9H,4,7-8H2,1H3 |
| InChIKey | CANRIWLSFABURK-UHFFFAOYSA-N |
| Molecular Weight | 338.710 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC=1C(=CC=CC1)Cl)=O |