| SpectraBase Spectrum ID |
KlIntTb68HW |
| Name |
(S)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)-benzenemethanol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.048126166 u |
| Formula |
C13H11ClF3NO |
| InChI |
InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1 |
| InChIKey |
KEMUGFRERPPUHB-LBPRGKRZSA-N |
| Molecular Weight |
289.685 g/mol |
| SMILES |
C(F)(F)(F)[C@](O)(C#CC1CC1)C1=C(N)C=CC(Cl)=C1 |
