| SpectraBase Spectrum ID |
8HqYgB4YKYa |
| Name |
Indometacin HFIP |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
525.807 g/mol |
| Nominal Mass |
525 u |
| Quality |
737 |
| Retention Index |
3801 |
| 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 |
| SPLASH |
splash10-000l-0900000000-520a756673e938f44cdc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,1,1,2,3,3,3-heptafluoropropan-2-yl (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)\racetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001744 |
