| SpectraBase Compound ID | 2yuR6fOdHhz |
|---|---|
| InChI | InChI=1S/C15H17F3O2/c1-11(2)8-9-20-14(19)7-6-12-4-3-5-13(10-12)15(16,17)18/h3-7,10-11H,8-9H2,1-2H3/b7-6+ |
| InChIKey | TVRBQXNOJGEAQS-VOTSOKGWSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C15H17F3O2 |
| Exact Mass | 286.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2m7tdz4Zkpd |
|---|---|
| Name | 3-Trifluoromethylcinnamic acid, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.118064274 u |
| Formula | C15H17F3O2 |
| InChI | InChI=1S/C15H17F3O2/c1-11(2)8-9-20-14(19)7-6-12-4-3-5-13(10-12)15(16,17)18/h3-7,10-11H,8-9H2,1-2H3/b7-6+ |
| InChIKey | TVRBQXNOJGEAQS-VOTSOKGWSA-N |
| Molecular Weight | 286.294 g/mol |
| SMILES | C(OC(\C=C\C=1C=CC=C(C(F)(F)F)C1)=O)CC(C)C |