| SpectraBase Spectrum ID |
3aL3AWY208 |
| Name |
Bumetanide 3MEAC |
| Classification |
Diuretic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
448.166807798 u |
| Formula |
C22H28N2O6S |
| InChI |
InChI=1S/C22H28N2O6S/c1-6-7-14-24(16(2)25)20-15-17(22(26)29-5)8-13-21(20)30-18-9-11-19(12-10-18)31(27,28)23(3)4/h8-13,15H,6-7,14H2,1-5H3 |
| InChIKey |
JUBWKHJUYBGOGS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
448.534 g/mol |
| SMILES |
c1c(cc(c(c1)Oc1ccc(cc1)S(=O)(N(C)C)=O)N(CCCC)C(C)=O)C(OC)=O |
| SPLASH |
splash10-003r-0229100000-10b9c11f0b870de9d9c3 |
| 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_2783 |
