| SpectraBase Spectrum ID |
1Gojb7cS46g |
| Name |
4,6-Dibromo-3-(1,1-difluoro-2-oxo-4-ethylphenyl)-3-hydroxyindolin-2-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11Br2F2NO3 |
| InChI |
InChI=1S/C17H11Br2F2NO3/c1-8-2-4-9(5-3-8)14(23)17(20,21)16(25)13-11(19)6-10(18)7-12(13)22-15(16)24/h2-7,25H,1H3,(H,22,24) |
| InChIKey |
AVSOUGHVTQFLLW-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
475.084 g/mol |
| Optical Rotation |
[a]D25 = -105.5 (c = 0.43, MeOH) |
| Reported Formula |
C17H11(79)Br2F2NO3 |
| SMILES |
N1c2cc(cc(c2C(C1=O)(O)C(C(c1ccc(cc1)C)=O)(F)F)Br)Br |
| SPLASH |
splash10-01bc-4902000000-942101f5a7d1d0aae1fe |
| Sample Comments |
92% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844721 |
