| SpectraBase Spectrum ID |
AIZMb48NEIw |
| Name |
3-(1,1-difluoro-2-oxo-(4-chlorophenyl)ethyl)-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/c1-21-13-5-3-2-4-12(13)16(24,15(21)23)17(19,20)14(22)10-6-8-11(18)9-7-10/h2-9,24H,1H3 |
| InChIKey |
OFFIWGJVZQRKQI-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
351.737 g/mol |
| Optical Rotation |
[a]D25 = -138.2 (c = 1.20, MeOH) |
| Reported Formula |
C17H12NO3F2(35)Cl |
| SMILES |
OC1(c2ccccc2N(C1=O)C)C(C(c1ccc(cc1)Cl)=O)(F)F |
| SPLASH |
splash10-03di-2900000000-033631d6d3275827360d |
| Sample Comments |
95% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844732 |
