| SpectraBase Compound ID | 7jBu85BarzS |
|---|---|
| InChI | InChI=1S/C15H21F3O4/c1-4-7-12(8-5-2)22-14(20)10-6-9-13(19)21-11(3)15(16,17)18/h4-5,11-12H,1-2,6-10H2,3H3 |
| InChIKey | HUZNETXJLONRKQ-UHFFFAOYSA-N |
| Mol Weight | 322.32 g/mol |
| Molecular Formula | C15H21F3O4 |
| Exact Mass | 322.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lvk2OaVqVEm |
|---|---|
| Name | Glutaric acid, hepta-1,6-dien-4-yl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.139193641 u |
| Formula | C15H21F3O4 |
| InChI | InChI=1S/C15H21F3O4/c1-4-7-12(8-5-2)22-14(20)10-6-9-13(19)21-11(3)15(16,17)18/h4-5,11-12H,1-2,6-10H2,3H3 |
| InChIKey | HUZNETXJLONRKQ-UHFFFAOYSA-N |
| Molecular Weight | 322.324 g/mol |
| SMILES | C(CCC(OC(C(F)(F)F)C)=O)C(OC(CC=C)CC=C)=O |