For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Bunitrolol-A (CH2O,-H2O)
SpectraBase Compound ID CM7f6TEELXC
InChI InChI=1S/C15H20N2O2/c1-15(2,3)17-9-13(19-11-17)10-18-14-7-5-4-6-12(14)8-16/h4-7,13H,9-11H2,1-3H3
InChIKey VSAWOSQVMWSUDQ-UHFFFAOYSA-N
Mol Weight 260.34 g/mol
Molecular Formula C15H20N2O2
Exact Mass 260.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3NUgmxiaeMD
Name Bunitrolol formyl artifact
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 260.152477890 u
Formula C15H20N2O2
InChI InChI=1S/C15H20N2O2/c1-15(2,3)17-9-13(19-11-17)10-18-14-7-5-4-6-12(14)8-16/h4-7,13H,9-11H2,1-3H3
InChIKey VSAWOSQVMWSUDQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 260.337 g/mol
SMILES C1C(COc2ccccc2C#N)OCN1C(C)(C)C
SPLASH splash10-0002-9270000000-33ad63ccd8e87caa95b8
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_1350