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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)

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SpectraBase Spectrum ID 2l4O29gsa45
Name Methyl 3-(butylamino)-5-[(dimethylamino)sulfonyl]-4-phenoxybenzoate
Alternate Name(s) Methyl 3-[butyl(methyl)amino]-5-[(methylamino)sulfonyl]-4-phenoxybenzoate N,N'-Dimethyl-bumetanide, methyl ester Bumetanide, N,N-dimethyl-, methyl ester 3-(butylamino)-5-(dimethylsulfamoyl)-4-phenoxybenzoic acid methyl ester Methyl 3-(butylamino)-5-(dimethylsulfamoyl)-4-phenoxybenzoate Methyl 3-(butylamino)-5-(dimethylsulfamoyl)-4-phenoxy-benzoate
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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
Molecular Weight 406.497 g/mol
SMILES N(c1c(c(S(N(C)C)(=O)=O)cc(C(=O)OC)c1)Oc1ccccc1)CCCC
SPLASH splash10-0r00-3279700000-e08ef8b0c1f58cc195be
Source of Spectrum JC-563-266-0
Wiley ID 1372052