![1-[2'-(Trifluoromethyl)phenyl]-1-pentyne](/api/spectrum/PXUosGhXTn/structure.png?h=300&w=458 "1-[2'-(Trifluoromethyl)phenyl]-1-pentyne")
| SpectraBase Compound ID | 68qJhGkRPgz |
|---|---|
| InChI | InChI=1S/C12H11F3/c1-2-3-4-7-10-8-5-6-9-11(10)12(13,14)15/h5-6,8-9H,2-3H2,1H3 |
| InChIKey | RFMUBLIXQLRZMM-UHFFFAOYSA-N |
| Mol Weight | 212.22 g/mol |
| Molecular Formula | C12H11F3 |
| Exact Mass | 212.081285 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 | PXUosGhXTn |
|---|---|
| Name | 1-[2'-(Trifluoromethyl)phenyl]-1-pentyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.081284843 u |
| Formula | C12H11F3 |
| InChI | InChI=1S/C12H11F3/c1-2-3-4-7-10-8-5-6-9-11(10)12(13,14)15/h5-6,8-9H,2-3H2,1H3 |
| InChIKey | RFMUBLIXQLRZMM-UHFFFAOYSA-N |
| Molecular Weight | 212.215 g/mol |
| SMILES | C(C=1C(C#CCCC)=CC=CC1)(F)(F)F |