| SpectraBase Spectrum ID |
GuJUudBbVlF |
| Name |
(Z)-1-{6-[4-(Methylsulfonyl)phenyl]pyridin-2-yl}-3-phenyl-3-(phenylamino)prop-2-en-1-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H22N2O3S |
| InChI |
InChI=1S/C27H22N2O3S/c1-33(31,32)23-17-15-21(16-18-23)24-13-8-14-25(29-24)27(30)19-26(20-9-4-2-5-10-20)28-22-11-6-3-7-12-22/h2-19,28H,1H3/b26-19- |
| InChIKey |
PXYCQDUNFCCMAN-XHPQRKPJSA-N |
| Instrument Name |
Agilent 5763 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.201900837 |
| Molecular Weight |
454.544 g/mol |
| Reported Formula |
C27H22N2O3S |
| SMILES |
N(\C(=C/C(=O)c1cccc(n1)-c1ccc(cc1)S(C)(=O)=O)c1ccccc1)c1ccccc1 |
| SPLASH |
splash10-008a-1493100000-e62cafc1edaff76d857a |
| Sample Comments |
regioisomeric ratio = 1.5:1 |
| Source of Spectrum |
ASC-361-SM13-3ga |
| Thin-Layer Chromatography |
Rf = 0.32 (hexane/EtOAc, 6:4) |
| Wiley ID |
1838072 |
![(Z)-1-{6-[4-(Methylsulfonyl)phenyl]pyridin-2-yl}-3-phenyl-3-(phenylamino)prop-2-en-1-one](/api/spectrum/GuJUudBbVlF/structure.png?h=300&w=458 "(Z)-1-{6-[4-(Methylsulfonyl)phenyl]pyridin-2-yl}-3-phenyl-3-(phenylamino)prop-2-en-1-one")
