| SpectraBase Compound ID | AJiwFAbSarF |
|---|---|
| InChI | InChI=1S/C20H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(24)17-13-12-14-18(16-17)20(21,22)23/h12-14,16H,2,5-11,15H2,1H3 |
| InChIKey | RZUFZDYMZKGOGD-UHFFFAOYSA-N |
| Mol Weight | 354.41 g/mol |
| Molecular Formula | C20H25F3O2 |
| Exact Mass | 354.180665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtUCMgZw1fW |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.180664532 u |
| Formula | C20H25F3O2 |
| InChI | InChI=1S/C20H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(24)17-13-12-14-18(16-17)20(21,22)23/h12-14,16H,2,5-11,15H2,1H3 |
| InChIKey | RZUFZDYMZKGOGD-UHFFFAOYSA-N |
| Molecular Weight | 354.413 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(C1=CC(C(F)(F)F)=CC=C1)=O |