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Quinethazone 4ME
SpectraBase Compound ID Cnhea62NztT
InChI InChI=1S/C14H20ClN3O3S/c1-6-13-17(4)11-8-10(15)12(22(20,21)16(2)3)7-9(11)14(19)18(13)5/h7-8,13H,6H2,1-5H3
InChIKey PRUNKFLUNGFXPK-UHFFFAOYSA-N
Mol Weight 345.85 g/mol
Molecular Formula C14H20ClN3O3S
Exact Mass 345.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dlvPWywpPZ
Name Quinethazone 4ME
Classification Diuretic
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Exact Mass 345.091390387 u
Formula C14H20N3O3ClS
InChI InChI=1S/C14H20ClN3O3S/c1-6-13-17(4)11-8-10(15)12(22(20,21)16(2)3)7-9(11)14(19)18(13)5/h7-8,13H,6H2,1-5H3
InChIKey PRUNKFLUNGFXPK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.845 g/mol
SMILES c1(c(cc2c(c1)N(C)C(CC)N(C)C2=O)S(N(C)C)(=O)=O)Cl
SPLASH splash10-014i-0349000000-efa26ccd605492022ca1
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_6854