| SpectraBase Compound ID | lMGPSwZijq |
|---|---|
| InChI | InChI=1S/C15H17F3O5/c1-10(15(16,17)18)22-13(19)8-5-9-14(20)23-12-7-4-3-6-11(12)21-2/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | VXAKPNIVUWXVRQ-UHFFFAOYSA-N |
| Mol Weight | 334.29 g/mol |
| Molecular Formula | C15H17F3O5 |
| Exact Mass | 334.102808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGaNJVtKlWK |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.102808131 u |
| Formula | C15H17F3O5 |
| InChI | InChI=1S/C15H17F3O5/c1-10(15(16,17)18)22-13(19)8-5-9-14(20)23-12-7-4-3-6-11(12)21-2/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | VXAKPNIVUWXVRQ-UHFFFAOYSA-N |
| Molecular Weight | 334.291 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC1=CC=CC=C1OC)=O |