| SpectraBase Spectrum ID |
J3pmiz5t0KW |
| Name |
(E/Z)-1-(2'-Methoxyphenyl)-3-iodo-4,4,4-trifluorobut-2-en-1-one |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H8F3IO2 |
| InChI |
InChI=1S/C11H8F3IO2/c1-17-9-5-3-2-4-7(9)8(16)6-10(15)11(12,13)14/h2-6H,1H3 |
| InChIKey |
PJXSYWOXJWCECA-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu QP2010 Ultra |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/ejoc.202001071 |
| Molecular Weight |
356.083 g/mol |
| SMILES |
c1cc(C(=O)C=C(C(F)(F)F)I)c(OC)cc1 |
| SPLASH |
splash10-000i-3921000000-756ccd001686494e8b0a |
| Sample Comments |
mixture of E/Z (97:3) |
| Source of Spectrum |
U1-2020-SM20-7a |
| Wiley ID |
1861014 |
