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Piretanide 2ME
SpectraBase Compound ID KlC3yIHuaO1
InChI InChI=1S/C19H22N2O5S/c1-20-27(23,24)17-13-14(19(22)25-2)12-16(21-10-6-7-11-21)18(17)26-15-8-4-3-5-9-15/h3-5,8-9,12-13,20H,6-7,10-11H2,1-2H3
InChIKey VZQOKMYWCSUNFY-UHFFFAOYSA-N
Mol Weight 390.45 g/mol
Molecular Formula C19H22N2O5S
Exact Mass 390.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqoAZYSfFdO
Name Piretanide 2ME
Classification Diuretic
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Exact Mass 390.124942985 u
Formula C19H22N2O5S
InChI InChI=1S/C19H22N2O5S/c1-20-27(23,24)17-13-14(19(22)25-2)12-16(21-10-6-7-11-21)18(17)26-15-8-4-3-5-9-15/h3-5,8-9,12-13,20H,6-7,10-11H2,1-2H3
InChIKey VZQOKMYWCSUNFY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.454 g/mol
Related CAS Registry Number(s) 55837-27-9
SMILES c1(ccccc1)Oc1c(N2CCCC2)cc(cc1S(=O)(=O)NC)C(=O)OC
SPLASH splash10-00kg-4693000000-cf565e12f120d3c1f987
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: UME
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_3100