| SpectraBase Spectrum ID |
IJInlXkPOAU |
| Name |
Acemetacin |
| Classification |
Pharmaceutical drug, antiphlogistic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
415.082264998 u |
| Formula |
C21H18ClNO6 |
| InChI |
InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25) |
| InChIKey |
FSQKKOOTNAMONP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
415.829 g/mol |
| Nominal Mass |
415 u |
| Quality |
661 |
| Retention Index |
3083 |
| SMILES |
OC(COC(CC=1C=2C(N(C1C)C(C=1C=CC(=CC1)Cl)=O)=CC=C(C2)OC)=O)=O |
| SPLASH |
splash10-000i-0900100000-08ce0bb29f1d039130a7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetic acid,2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]oxy
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]oxyacetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006254 |
