| SpectraBase Spectrum ID |
JnWwCkla6DX |
| Name |
3-Hydroxy-5-(2-phenylethynyl)-3-(trifluoromethyl)cyclohexanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13F3O2 |
| InChI |
InChI=1S/C15H13F3O2/c16-15(17,18)14(20)9-12(8-13(19)10-14)7-6-11-4-2-1-3-5-11/h1-5,12,20H,8-10H2 |
| InChIKey |
KDIKROBFZRAMRS-UHFFFAOYSA-N |
| Molecular Weight |
282.262 g/mol |
| SMILES |
OC1(C(F)(F)F)CC(=O)CC(C#Cc2ccccc2)C1 |
| SPLASH |
splash10-004i-0930000000-0b878909b3c6ebb96c22 |
| Source of Spectrum |
F4-40-3971-2h |
| Wiley ID |
1671493 |
