| SpectraBase Spectrum ID |
IobdnrHjaGi |
| Name |
3-(1,1-difluoro-2-(4-methoxy phenyl)-2-oxoethyl)-3-hydroxy-indol-2-one |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13F2NO4 |
| InChI |
InChI=1S/C17H13F2NO4/c1-24-11-8-6-10(7-9-11)14(21)17(18,19)16(23)12-4-2-3-5-13(12)20-15(16)22/h2-9,23H,1H3,(H,20,22) |
| InChIKey |
BUORTMZVMFICPA-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
333.291 g/mol |
| Optical Rotation |
[a]D25 = -73.6 (c = 0.69, MeOH) |
| Reported Formula |
C18H15F2NO4 |
| SMILES |
N1c2ccccc2C(C1=O)(C(C(c1ccc(cc1)OC)=O)(F)F)O |
| SPLASH |
splash10-000i-3900000000-f15568f9550a72803ad6 |
| Sample Comments |
90% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844729 |
