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Etoricoxib-M (HOOC-) -CO2
SpectraBase Compound ID u1oGZDvOdo
InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
InChIKey CUVUXNULRBGYON-UHFFFAOYSA-N
Mol Weight 344.82 g/mol
Molecular Formula C17H13ClN2O2S
Exact Mass 344.038627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXazlyTb3dR
Name Etoricoxib-M (HOOC-) -CO2
Classification Antirheumatic
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Exact Mass 344.038626539 u
Formula C17H13N2O2ClS
InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
InChIKey CUVUXNULRBGYON-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 344.816 g/mol
SMILES c1nc(-c2cccnc2)c(cc1Cl)-c1ccc(cc1)S(=O)(C)=O
SPLASH splash10-0006-1489000000-65e30a159c3dd420c7f1
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: U+UHYAC
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_7882