| SpectraBase Spectrum ID |
2NuPMANQjPZ |
| Name |
Acemetacin ME |
| Classification |
Antirheumatic |
| Copyright |
Copyright © 2023-2024 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 |
| Related CAS Registry Number(s) |
53164-05-9 |
| SMILES |
c1(c(C)[n](c2ccc(cc12)OC)C(=O)c1ccc(cc1)Cl)CC(OCC(=O)OC)=O |
| SPLASH |
splash10-000i-1901300000-df0ce5f8540524972307 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: PME UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1374 |
