| SpectraBase Compound ID | 9KgQsbfSk9j |
|---|---|
| InChI | InChI=1S/C15H25F3O4/c1-4-5-6-8-11(2)21-13(19)9-7-10-14(20)22-12(3)15(16,17)18/h11-12H,4-10H2,1-3H3 |
| InChIKey | SSYQKEQPYTWDED-UHFFFAOYSA-N |
| Mol Weight | 326.36 g/mol |
| Molecular Formula | C15H25F3O4 |
| Exact Mass | 326.170494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUrB9MZ873v |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.170493770 u |
| Formula | C15H25F3O4 |
| InChI | InChI=1S/C15H25F3O4/c1-4-5-6-8-11(2)21-13(19)9-7-10-14(20)22-12(3)15(16,17)18/h11-12H,4-10H2,1-3H3 |
| InChIKey | SSYQKEQPYTWDED-UHFFFAOYSA-N |
| Molecular Weight | 326.356 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC(CCCCC)C)=O |