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Bumetanide -SO2NH ME
SpectraBase Compound ID IRM8Al4ejin
InChI InChI=1S/C18H21NO3/c1-3-4-12-19-16-13-14(18(20)21-2)10-11-17(16)22-15-8-6-5-7-9-15/h5-11,13,19H,3-4,12H2,1-2H3
InChIKey DJAOHQWLEXIUOP-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9Qr0VT4KIu
Name Bumetanide -SO2NH ME
Classification Diuretic
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Exact Mass 299.152143537 u
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-3-4-12-19-16-13-14(18(20)21-2)10-11-17(16)22-15-8-6-5-7-9-15/h5-11,13,19H,3-4,12H2,1-2H3
InChIKey DJAOHQWLEXIUOP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 299.370 g/mol
Related CAS Registry Number(s) 28395-03-1
SMILES c1c(cc(c(Oc2ccccc2)c1)NCCCC)C(OC)=O
SPLASH splash10-0a4i-4490000000-85630cfaaf1ea1f1d989
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_2778