| SpectraBase Spectrum ID |
EHq81KfHTwY |
| Name |
(1R*,2S*)-[2-methoxy-2-(4-trifluoromethylphenylethynyl)-cyclopropyl]methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.086764146 u |
| Formula |
C14H13F3O2 |
| InChI |
InChI=1S/C14H13F3O2/c1-19-13(8-12(13)9-18)7-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,12,18H,8-9H2,1H3/t12-,13+/m1/s1 |
| InChIKey |
RTRFJMOVKRPPCK-OLZOCXBDSA-N |
| Molecular Weight |
270.251 g/mol |
| SMILES |
C(O)[C@@]1([C@@](C1)(C#CC=1C=CC(=CC1)C(F)(F)F)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950723 |
![(1R*,2S*)-[2-methoxy-2-(4-trifluoromethylphenylethynyl)-cyclopropyl]methanol](/api/spectrum/EHq81KfHTwY/structure.png?h=300&w=458 "(1R*,2S*)-[2-methoxy-2-(4-trifluoromethylphenylethynyl)-cyclopropyl]methanol")
