| SpectraBase Spectrum ID |
86Y5QAr6jye |
| Name |
3-(1,1-difluoro-2-(3-chloro phenyl)-2-oxoethyl)-3-hydroxy-1-methyl indol-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12ClF2NO3 |
| InChI |
InChI=1S/C17H12ClF2NO3/c1-21-13-8-3-2-7-12(13)16(24,15(21)23)17(19,20)14(22)10-5-4-6-11(18)9-10/h2-9,24H,1H3 |
| InChIKey |
GOUPKKQDLZBEDF-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
351.737 g/mol |
| Optical Rotation |
[a]D25 = -109.3 (c = 0.61, MeOH) |
| Reported Formula |
C17H12NO3F2(35)Cl |
| SMILES |
OC1(c2ccccc2N(C1=O)C)C(C(c1cccc(c1)Cl)=O)(F)F |
| SPLASH |
splash10-03di-0900000000-1968f89cea9999c4fdd2 |
| Sample Comments |
96% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844731 |
