| SpectraBase Compound ID | 5H3UoCs3rsJ |
|---|---|
| InChI | InChI=1S/C17H15F3O2/c1-2-6-12-7-3-4-10-15(12)22-16(21)13-8-5-9-14(11-13)17(18,19)20/h3-5,7-11H,2,6H2,1H3 |
| InChIKey | XFRZCFLQFNLQLX-UHFFFAOYSA-N |
| Mol Weight | 308.3 g/mol |
| Molecular Formula | C17H15F3O2 |
| Exact Mass | 308.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 91DPTHfkdOJ |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.102414210 u |
| Formula | C17H15F3O2 |
| InChI | InChI=1S/C17H15F3O2/c1-2-6-12-7-3-4-10-15(12)22-16(21)13-8-5-9-14(11-13)17(18,19)20/h3-5,7-11H,2,6H2,1H3 |
| InChIKey | XFRZCFLQFNLQLX-UHFFFAOYSA-N |
| Molecular Weight | 308.300 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OC1=CC=CC=C1CCC)C(F)(F)F |