| SpectraBase Compound ID | LXcxAAZAna4 |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-10-5-3-6-12(9-10)22-14(20)8-4-7-13(19)21-11(2)15(16,17)18/h3,5-6,9,11H,4,7-8H2,1-2H3 |
| InChIKey | RGPIZBVYDPZCHZ-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tPSgaGTuLw |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107893512 u |
| Formula | C15H17F3O4 |
| InChI | InChI=1S/C15H17F3O4/c1-10-5-3-6-12(9-10)22-14(20)8-4-7-13(19)21-11(2)15(16,17)18/h3,5-6,9,11H,4,7-8H2,1-2H3 |
| InChIKey | RGPIZBVYDPZCHZ-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC=1C=CC=C(C)C1)=O |