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

*Links on SpectraBase are not permalinks.
Bumetanide 3ME
SpectraBase Compound ID 7AsyafP87WM
InChI InChI=1S/C20H26N2O5S/c1-5-6-12-21-17-13-15(20(23)26-4)14-18(28(24,25)22(2)3)19(17)27-16-10-8-7-9-11-16/h7-11,13-14,21H,5-6,12H2,1-4H3
InChIKey ZJEMDORSOGHAGO-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C20H26N2O5S
Exact Mass 406.156243 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 4HYVOYNgPY
Name Bumetanide 3ME
Classification Diuretic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 406.156243114 u
Formula C20H26N2O5S
InChI InChI=1S/C20H26N2O5S/c1-5-6-12-21-17-13-15(20(23)26-4)14-18(28(24,25)22(2)3)19(17)27-16-10-8-7-9-11-16/h7-11,13-14,21H,5-6,12H2,1-4H3
InChIKey ZJEMDORSOGHAGO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 406.497 g/mol
Related CAS Registry Number(s) 28395-03-1
SMILES c1c(C(OC)=O)cc(c(c1S(N(C)C)(=O)=O)Oc1ccccc1)NCCCC
SPLASH splash10-0bt9-1679800000-b71a7c205531adec7bf6
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_2779