| SpectraBase Compound ID | FZ17nxR0Waz |
|---|---|
| InChI | InChI=1S/C12H13F3O2/c1-2-3-8-17-11(16)9-4-6-10(7-5-9)12(13,14)15/h4-7H,2-3,8H2,1H3 |
| InChIKey | CCNUYJYIRZZKAG-UHFFFAOYSA-N |
| Mol Weight | 246.23 g/mol |
| Molecular Formula | C12H13F3O2 |
| Exact Mass | 246.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0lM00fs8ec |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.086764146 u |
| Formula | C12H13F3O2 |
| InChI | InChI=1S/C12H13F3O2/c1-2-3-8-17-11(16)9-4-6-10(7-5-9)12(13,14)15/h4-7H,2-3,8H2,1H3 |
| InChIKey | CCNUYJYIRZZKAG-UHFFFAOYSA-N |
| Molecular Weight | 246.229 g/mol |
| SMILES | CCCCOC(=O)C1=CC=C(C(F)(F)F)C=C1 |