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Bunitrolol-M (HO-) artifact AC
SpectraBase Compound ID 51pe78YlJtp
InChI InChI=1S/C18H26N2O3/c1-13(11-20(6)18(3,4)5)12-22-17-8-7-16(23-14(2)21)9-15(17)10-19/h7-9,13H,11-12H2,1-6H3
InChIKey JGELECRTYBWNFG-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C18H26N2O3
Exact Mass 318.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fUEoA4QkaM
Name Bunitrolol-M (HO-) artifact AC
Classification Beta-Blocker
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 318.194342702 u
Formula C18H26N2O3
InChI InChI=1S/C18H26N2O3/c1-13(11-20(6)18(3,4)5)12-22-17-8-7-16(23-14(2)21)9-15(17)10-19/h7-9,13H,11-12H2,1-6H3
InChIKey JGELECRTYBWNFG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 318.417 g/mol
SMILES c1cc(cc(c1OCC(CN(C(C)(C)C)C)C)C#N)OC(C)=O
SPLASH splash10-0udi-3009000000-0cd4be272b5f8834198c
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: 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_1588