| SpectraBase Spectrum ID |
FfyMBcgnwDZ |
| Name |
Indometacin hfip |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.057782804 u |
| Formula |
C22H15ClF7NO4 |
| InChI |
InChI=1S/C22H15ClF7NO4/c1-11-15(10-18(32)35-20(24,21(25,26)27)22(28,29)30)16-9-14(34-2)7-8-17(16)31(11)19(33)12-3-5-13(23)6-4-12/h3-9H,10H2,1-2H3 |
| InChIKey |
JSRJXPGTQBVTOJ-UHFFFAOYSA-N |
| Molecular Weight |
525.807 g/mol |
| SMILES |
C(C(F)(F)F)(C(F)(F)F)(OC(CC=1C=2C(N(C1C)C(C1=CC=C(C=C1)Cl)=O)=CC=C(C2)OC)=O)F |
