| SpectraBase Spectrum ID |
H9IZ0XgFwMa |
| Name |
o-Pnenylethynyl-p-chloro-(m-(trifluoromethyl)benzoyloxy)benzene |
| Alternate Name(s) |
4-chloro-2-(phenylethynyl)phenyl 3-(trifluoromethyl)benzoate
[4-chloro-2-(2-phenylethynyl)phenyl] 3-(trifluoromethyl)benzoate
[4-chloranyl-2-(2-phenylethynyl)phenyl] 3-(trifluoromethyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H12ClF3O2 |
| InChI |
InChI=1S/C22H12ClF3O2/c23-19-11-12-20(16(14-19)10-9-15-5-2-1-3-6-15)28-21(27)17-7-4-8-18(13-17)22(24,25)26/h1-8,11-14H |
| InChIKey |
HWQOVBJWEKOMOT-UHFFFAOYSA-N |
| Molecular Weight |
400.784 g/mol |
| SMILES |
C(c1cc(C(Oc2c(C#Cc3ccccc3)cc(cc2)Cl)=O)ccc1)(F)(F)F |
| SPLASH |
splash10-00di-0900400000-0b48d91aa0b24e182917 |
| Source of Spectrum |
J-61-9288-16 |
| Wiley ID |
1369375 |
