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Betaxolol -H2O AC
SpectraBase Compound ID DV3XnUFf9D2
InChI InChI=1S/C20H29NO3/c1-16(2)21(17(3)22)12-4-13-24-20-9-7-18(8-10-20)11-14-23-15-19-5-6-19/h4,7-10,13,16,19H,5-6,11-12,14-15H2,1-3H3/b13-4+
InChIKey KPGYXSVXMCKAHB-YIXHJXPBSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjgzmJWqWGe
Name Betaxolol -H2O AC
Classification Beta-Blocker
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Exact Mass 331.214743795 u
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-16(2)21(17(3)22)12-4-13-24-20-9-7-18(8-10-20)11-14-23-15-19-5-6-19/h4,7-10,13,16,19H,5-6,11-12,14-15H2,1-3H3/b13-4+
InChIKey KPGYXSVXMCKAHB-YIXHJXPBSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.456 g/mol
SMILES C1CC1COCCc1ccc(cc1)O\C=C\CN(C(C)C)C(=O)C
SPLASH splash10-0a4l-9710000000-66bda6b9c4bba53b80b0
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_1581