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 |