| SpectraBase Spectrum ID |
16gzBqEgumx |
| Name |
3-(2-Trifluoromethyl-4-hydroxyphenylethynyl)-2-isopropylcyclohex-2-enone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17F3O2 |
| InChI |
InChI=1S/C18H17F3O2/c1-11(2)17-13(4-3-5-16(17)23)7-6-12-8-9-14(22)10-15(12)18(19,20)21/h8-11,22H,3-5H2,1-2H3 |
| InChIKey |
ARVLANAEHLMEDV-UHFFFAOYSA-N |
| Molecular Weight |
322.327 g/mol |
| SMILES |
Oc1ccc(c(C(F)(F)F)c1)C#CC1=C(C(=O)CCC1)C(C)C |
| SPLASH |
splash10-05fr-0009000000-a5391c8706e18abdd64e |
| Source of Spectrum |
F4-41-2057-3k |
| Wiley ID |
1672497 |
