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Tienilic acid ME
SpectraBase Compound ID 1YoTYx6F9de
InChI InChI=1S/C14H10Cl2O4S/c1-19-12(17)7-20-10-6-8(5-9(15)13(10)16)14(18)11-3-2-4-21-11/h2-6H,7H2,1H3
InChIKey PGSPVJXTHXRXFU-UHFFFAOYSA-N
Mol Weight 345.2 g/mol
Molecular Formula C14H10Cl2O4S
Exact Mass 343.967685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgKEBADQtxG
Name Tienilic acid ME
Classification Diuretic
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Exact Mass 343.967685372 u
Formula C14H10O4Cl2S
InChI InChI=1S/C14H10Cl2O4S/c1-19-12(17)7-20-10-6-8(5-9(15)13(10)16)14(18)11-3-2-4-21-11/h2-6H,7H2,1H3
InChIKey PGSPVJXTHXRXFU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.196 g/mol
SMILES COC(COc1c(Cl)c(cc(c1)C(c1sccc1)=O)Cl)=O
SPLASH splash10-03di-3956000000-e22c7226e5a863391f20
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: UEXME
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_6852