For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Mefruside
SpectraBase Compound ID LfVa40h2j3
InChI InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)
InChIKey SMNOERSLNYGGOU-UHFFFAOYSA-N
Mol Weight 382.88 g/mol
Molecular Formula C13H19ClN2O5S2
Exact Mass 382.042392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DoRid2RDRFg
Name Mefruside
CAS Registry Number 7195-27-9
Classification Pharmaceutical drug, diuretic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 382.042391763 u
Formula C13H19ClN2O5S2
InChI InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)
InChIKey SMNOERSLNYGGOU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 382.877 g/mol
Nominal Mass 382 u
Quality 997
Retention Index 2739
SMILES NS(C1=CC(S(N(CC2(OCCC2)C)C)(=O)=O)=CC=C1Cl)(=O)=O
SPLASH splash10-000l-9000000000-cf072c8e230c58a37e33
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Chloro-N-methyl-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide
Technique GC/MS
Wiley ID DD2024_001900