| SpectraBase Spectrum ID |
3QGvUMMsGO |
| Name |
Indometacin-M (HO-) 2ME @ |
| Classification |
Antirheumatic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.103000443 u |
| Formula |
C21H20ClNO5 |
| InChI |
InChI=1S/C21H20ClNO5/c1-12-15(10-20(24)28-4)16-9-18(26-2)19(27-3)11-17(16)23(12)21(25)13-5-7-14(22)8-6-13/h5-9,11H,10H2,1-4H3 |
| InChIKey |
KMIZIWQNSZRBOL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.846 g/mol |
| SMILES |
c1(c(cc2c(c1)c(c(C)[n]2C(c1ccc(cc1)Cl)=O)CC(=O)OC)OC)OC |
| SPLASH |
splash10-000i-2921100000-ed1c4a9b9197695204a7 |
| 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: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Acemetacin-M/artifact (HO-indometacin) 2ME
Proglumetacin-M/artifact (HO-indometacin) 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6293 |
