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Torasemide
SpectraBase Compound ID LG3CwyrIx8q
InChI InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChIKey NGBFQHCMQULJNZ-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C16H20N4O3S
Exact Mass 348.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GzuMTm2wcK
Name Torasemide
Classification Pharmaceutical drug, diuretic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 348.125611691 u
Formula C16H20N4O3S
InChI InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChIKey NGBFQHCMQULJNZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 348.421 g/mol
Nominal Mass 348 u
Quality 925
SMILES C1(S(NC(NC(C)C)=O)(=O)=O)=C(NC2=CC(=CC=C2)C)C=CN=C1
SPLASH splash10-001i-0930000000-809d98ae8f120d51680b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-iso-Propyl-3-[(4-m-toluidino-3-pyridyl)sulfonyl]urea
Technique DI/MS
Wiley ID DD2024_004068