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Bisoprolol N-AC
SpectraBase Compound ID 3Z0awH2cRKa
InChI InChI=1S/C20H33NO5/c1-15(2)21(17(5)22)12-19(23)14-26-20-8-6-18(7-9-20)13-24-10-11-25-16(3)4/h6-9,15-16,19,23H,10-14H2,1-5H3
InChIKey VEDPWKWNWHTAOC-UHFFFAOYSA-N
Mol Weight 367.5 g/mol
Molecular Formula C20H33NO5
Exact Mass 367.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkrZO4O2QJZ
Name Bisoprolol N-AC
Classification Beta-Blocker
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Exact Mass 367.235873162 u
Formula C20H33NO5
InChI InChI=1S/C20H33NO5/c1-15(2)21(17(5)22)12-19(23)14-26-20-8-6-18(7-9-20)13-24-10-11-25-16(3)4/h6-9,15-16,19,23H,10-14H2,1-5H3
InChIKey VEDPWKWNWHTAOC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.486 g/mol
SMILES CC(OCCOCc1ccc(cc1)OCC(O)CN(C(C)C)C(C)=O)C
SPLASH splash10-0ab9-5900000000-8d8b17cc3674c0235e4c
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_6408