| SpectraBase Compound ID | ICgrAnYB0R3 |
|---|---|
| InChI | InChI=1S/C15H16ClF3O4/c1-10(15(17,18)19)23-14(21)4-2-3-13(20)22-9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3 |
| InChIKey | NNJXINGABOFNOQ-UHFFFAOYSA-N |
| Mol Weight | 352.74 g/mol |
| Molecular Formula | C15H16ClF3O4 |
| Exact Mass | 352.068921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UpKLQYDnST |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.068921180 u |
| Formula | C15H16ClF3O4 |
| InChI | InChI=1S/C15H16ClF3O4/c1-10(15(17,18)19)23-14(21)4-2-3-13(20)22-9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3 |
| InChIKey | NNJXINGABOFNOQ-UHFFFAOYSA-N |
| Molecular Weight | 352.737 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCC1=CC=C(C=C1)Cl)=O |