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Bisoprolol-A (CH2O,-H2O)
SpectraBase Compound ID JqYvSEE60TQ
InChI InChI=1S/C19H31NO4/c1-15(2)20-11-19(24-14-20)13-23-18-7-5-17(6-8-18)12-21-9-10-22-16(3)4/h5-8,15-16,19H,9-14H2,1-4H3
InChIKey OCEBUFVYUICXJX-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C19H31NO4
Exact Mass 337.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kc5Gp2eB4F
Name Bisoprolol formyl artifact
Classification Beta-Blocker
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Exact Mass 337.225308478 u
Formula C19H31NO4
InChI InChI=1S/C19H31NO4/c1-15(2)20-11-19(24-14-20)13-23-18-7-5-17(6-8-18)12-21-9-10-22-16(3)4/h5-8,15-16,19H,9-14H2,1-4H3
InChIKey OCEBUFVYUICXJX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.460 g/mol
SMILES CC(C)OCCOCc1ccc(cc1)OCC1OCN(C1)C(C)C
SPLASH splash10-03fr-3902000000-e8e09de990469232f649
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.
Sample Preparation Procedure Detected: G P U
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_2788