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Torasemide ME
SpectraBase Compound ID 6S91Cm6pKl9
InChI InChI=1S/C17H22N4O3S/c1-12(2)19-17(22)20-25(23,24)16-11-18-9-8-15(16)21(4)14-7-5-6-13(3)10-14/h5-12H,1-4H3,(H2,19,20,22)
InChIKey SVCQMTWZCUMNCS-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C17H22N4O3S
Exact Mass 362.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CMToI98ng
Name Torasemide ME
Classification Diuretic
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Exact Mass 362.141261755 u
Formula C17H22N4O3S
InChI InChI=1S/C17H22N4O3S/c1-12(2)19-17(22)20-25(23,24)16-11-18-9-8-15(16)21(4)14-7-5-6-13(3)10-14/h5-12H,1-4H3,(H2,19,20,22)
InChIKey SVCQMTWZCUMNCS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 362.448 g/mol
Related CAS Registry Number(s) 56211-40-6
SMILES c1c(cc(cc1)C)N(c1ccncc1S(=O)(=O)NC(NC(C)C)=O)C
SPLASH splash10-001i-2911000000-8bd9a01af7c2fd250cdf
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
Technique GC/MS
Wiley ID MMPW6e_7332