| SpectraBase Spectrum ID |
KRGLgkjlYMi |
| Name |
Ethyl (2E)-3-(trifluoromethyl)-6-(2'-thiophenyl)pent-2-en-4-ynoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H9F3O2S |
| InChI |
InChI=1S/C12H9F3O2S/c1-2-17-11(16)8-9(12(13,14)15)5-6-10-4-3-7-18-10/h3-4,7-8H,2H2,1H3/b9-8+ |
| InChIKey |
LOHUIWQTVXKWDL-CMDGGOBGSA-N |
| Molecular Weight |
274.257 g/mol |
| SMILES |
C(\C(C#Cc1sccc1)=C\C(=O)OCC)(F)(F)F |
| SPLASH |
splash10-004i-0090000000-112299417e008ead0738 |
| Source of Spectrum |
C4-27-437-3 |
| Wiley ID |
1612601 |
