| SpectraBase Spectrum ID |
DnucxwWc7u4 |
| Name |
Acemetacin methyl ester |
| Classification |
Pharmaceutical drug derivative |
| 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 |
429.097915062 u |
| Formula |
C22H20ClNO6 |
| InChI |
InChI=1S/C22H20ClNO6/c1-13-17(11-20(25)30-12-21(26)29-3)18-10-16(28-2)8-9-19(18)24(13)22(27)14-4-6-15(23)7-5-14/h4-10H,11-12H2,1-3H3 |
| InChIKey |
WHTHSWYUFZICQE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
429.856 g/mol |
| Nominal Mass |
429 u |
| Quality |
944 |
| Retention Index |
3183 |
| SMILES |
C=12N(C(=C(C2=CC(=CC1)OC)CC(OCC(OC)=O)=O)C)C(C=1C=CC(=CC1)Cl)=O |
| SPLASH |
splash10-000i-1901200000-991255415d4a45af6a69 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methoxy-2-oxoethyl (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000022 |
