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Bisoprolol -H2O AC
SpectraBase Compound ID 9Y98q8QkMB1
InChI InChI=1S/C20H31NO4/c1-16(2)21(18(5)22)11-6-12-25-20-9-7-19(8-10-20)15-23-13-14-24-17(3)4/h6-11,16-17H,12-15H2,1-5H3/b11-6-
InChIKey FGAMWCVIQFHHAQ-WDZFZDKYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gZIGv6NRjw
Name Bisoprolol -H2O AC
Classification Beta-Blocker
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-16(2)21(18(5)22)11-6-12-25-20-9-7-19(8-10-20)15-23-13-14-24-17(3)4/h6-11,16-17H,12-15H2,1-5H3/b11-6-
InChIKey FGAMWCVIQFHHAQ-WDZFZDKYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 349.471 g/mol
SMILES C(\C=C/N(C(C)=O)C(C)C)Oc1ccc(COCCOC(C)C)cc1
SPLASH splash10-052b-9420000000-28205d75d67b80bda482
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: U+UHYAC
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_2789