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Betaxolol -H2O
SpectraBase Compound ID JKrdlgYMP9H
InChI InChI=1S/C18H27NO2/c1-15(2)19-11-3-12-21-18-8-6-16(7-9-18)10-13-20-14-17-4-5-17/h3,6-9,11,15,17,19H,4-5,10,12-14H2,1-2H3/b11-3-
InChIKey JOADXKPFWFLHFG-JYOAFUTRSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LSKFelqo9g
Name Betaxolol -H2O
Classification Beta-Blocker
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Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-15(2)19-11-3-12-21-18-8-6-16(7-9-18)10-13-20-14-17-4-5-17/h3,6-9,11,15,17,19H,4-5,10,12-14H2,1-2H3/b11-3-
InChIKey JOADXKPFWFLHFG-JYOAFUTRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 289.419 g/mol
SMILES C1C(C1)COCCc1ccc(cc1)OC\C=C/NC(C)C
SPLASH splash10-00di-9000000000-f5a836270e05815488bc
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_1583