| SpectraBase Spectrum ID |
DnqGaKcsCJ6 |
| Name |
Indometacin-iso-propyl ester |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
399.123735888 u |
| Formula |
C22H22ClNO4 |
| InChI |
InChI=1S/C22H22ClNO4/c1-13(2)28-21(25)12-18-14(3)24(20-10-9-17(27-4)11-19(18)20)22(26)15-5-7-16(23)8-6-15/h5-11,13H,12H2,1-4H3 |
| InChIKey |
YCIPLRSQHFHPRU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
399.874 g/mol |
| Nominal Mass |
399 u |
| Quality |
955 |
| Retention Index |
2977 |
| SMILES |
C=12N(C(=C(C2=CC(=CC1)OC)CC(OC(C)C)=O)C)C(C=1C=CC(=CC1)Cl)=O |
| SPLASH |
splash10-000i-2902000000-688ec29aa0db6dfa5b39 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001747 |
