| SpectraBase Spectrum ID |
JHTHLRfBSGO |
| Name |
Acemetacin ET |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
443.113565126 u |
| Formula |
C23H22ClNO6 |
| InChI |
InChI=1S/C23H22ClNO6/c1-4-30-22(27)13-31-21(26)12-18-14(2)25(20-10-9-17(29-3)11-19(18)20)23(28)15-5-7-16(24)8-6-15/h5-11H,4,12-13H2,1-3H3 |
| InChIKey |
LJPQBEUXEDLQEJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
443.883 g/mol |
| Nominal Mass |
443 u |
| Quality |
927 |
| Retention Index |
3283 |
| SMILES |
C=12N(C(=C(C2=CC(=CC1)OC)CC(OCC(OCC)=O)=O)C)C(C=1C=CC(=CC1)Cl)=O |
| SPLASH |
splash10-000i-0911100000-aa604b0638b2cf59c984 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-ethoxy-2-oxoethyl (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000020 |
