| SpectraBase Spectrum ID |
E0GmdQ8VM0d |
| Name |
4,7-dichloro-3-(1,1-difluoro-2-(4-methoxyphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11Cl2F2NO4 |
| InChI |
InChI=1S/C17H11Cl2F2NO4/c1-26-9-4-2-8(3-5-9)14(23)17(20,21)16(25)12-10(18)6-7-11(19)13(12)22-15(16)24/h2-7,25H,1H3,(H,22,24) |
| InChIKey |
QJBOAFHCCANADV-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
402.181 g/mol |
| Optical Rotation |
[a]D25 = -85.5 (c = 0.53, MeOH) |
| Reported Formula |
C17H11NO4F2Cl2 |
| SMILES |
N1c2c(ccc(c2C(C1=O)(O)C(C(c1ccc(cc1)OC)=O)(F)F)Cl)Cl |
| SPLASH |
splash10-0imi-6900000000-2dba411f968a91037bd5 |
| Sample Comments |
82% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844720 |
