| SpectraBase Spectrum ID |
LVIRdbLnRTZ |
| Name |
Indometacin @ |
| CAS Registry Number |
53-86-1 |
| Classification |
Antirheumatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
357.076785695 u |
| Formula |
C19H16ClNO4 |
| InChI |
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| InChIKey |
CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
357.793 g/mol |
| SMILES |
c1(ccc2c(c1)c(CC(=O)O)c(C)[n]2C(c1ccc(cc1)Cl)=O)OC |
| SPLASH |
splash10-01p9-4901000000-03f52e4b3fd0bddc9f5d |
| 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: G P-I |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Acemetacin-M/artifact (indometacin)
Proglumetacin-M/artifact (indometacin) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1038 |
