| SpectraBase Compound ID | 64HropJDxyz |
|---|---|
| InChI | InChI=1S/C15H25F3O5/c1-11(7-9-21-3)8-10-22-13(19)5-4-6-14(20)23-12(2)15(16,17)18/h11-12H,4-10H2,1-3H3 |
| InChIKey | AENBGEZITJXMQF-UHFFFAOYSA-N |
| Mol Weight | 342.36 g/mol |
| Molecular Formula | C15H25F3O5 |
| Exact Mass | 342.165408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgmzYGEDqGV |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methyl-5-methoxypentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.165408389 u |
| Formula | C15H25F3O5 |
| InChI | InChI=1S/C15H25F3O5/c1-11(7-9-21-3)8-10-22-13(19)5-4-6-14(20)23-12(2)15(16,17)18/h11-12H,4-10H2,1-3H3 |
| InChIKey | AENBGEZITJXMQF-UHFFFAOYSA-N |
| Molecular Weight | 342.355 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCC(C)CCOC)=O |