| SpectraBase Spectrum ID |
JJOTrGxX5pg |
| Name |
Acemetacin i-PR |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
457.129215191 u |
| Formula |
C24H24ClNO6 |
| InChI |
InChI=1S/C24H24ClNO6/c1-14(2)32-23(28)13-31-22(27)12-19-15(3)26(21-10-9-18(30-4)11-20(19)21)24(29)16-5-7-17(25)8-6-16/h5-11,14H,12-13H2,1-4H3 |
| InChIKey |
INYSKGUWBQUTKD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
457.910 g/mol |
| Nominal Mass |
457 u |
| Quality |
919 |
| Retention Index |
3383 |
| SMILES |
C=12N(C(=C(C2=CC(=CC1)OC)CC(OCC(OC(C)C)=O)=O)C)C(C=1C=CC(=CC1)Cl)=O |
| SPLASH |
splash10-000i-0911100000-2c21d62244ae736fef0c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-oxo-2-(propan-2-yloxy)ethyl (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000021 |
