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Indometacine ET
SpectraBase Compound ID ANWliDylsQe
InChI InChI=1S/C21H20ClNO4/c1-4-27-20(24)12-17-13(2)23(19-10-9-16(26-3)11-18(17)19)21(25)14-5-7-15(22)8-6-14/h5-11H,4,12H2,1-3H3
InChIKey COIRSVPTDJIIKY-UHFFFAOYSA-N
Mol Weight 385.85 g/mol
Molecular Formula C21H20ClNO4
Exact Mass 385.108086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77CA01yPVnP
Name Indometacin ET @
Classification Antirheumatic
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Exact Mass 385.108085824 u
Formula C21H20ClNO4
InChI InChI=1S/C21H20ClNO4/c1-4-27-20(24)12-17-13(2)23(19-10-9-16(26-3)11-18(17)19)21(25)14-5-7-15(22)8-6-14/h5-11H,4,12H2,1-3H3
InChIKey COIRSVPTDJIIKY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 385.847 g/mol
SMILES CCOC(Cc1c([n](c2ccc(OC)cc12)C(c1ccc(cc1)Cl)=O)C)=O
SPLASH splash10-000i-1904000000-d424f35ae2ebf029a049
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.
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) ET Proglumetacin-M/artifact (indometacin) ET
Technique GC/MS
Wiley ID MMPW6e_3168