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Propranolol-M -H2O isomer-1 2AC
SpectraBase Compound ID 3ganJsGEQfp
InChI InChI=1S/C20H23NO4/c1-14(2)21(15(3)22)12-7-13-24-19-10-11-20(25-16(4)23)18-9-6-5-8-17(18)19/h5-12,14H,13H2,1-4H3/b12-7+
InChIKey MVXNVYDTJSLASO-KPKJPENVSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MiY2KFyLD6
Name Propranolol-M -H2O isomer-2 2AC
Classification Beta-Blocker
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-14(2)21(15(3)22)12-7-13-24-19-10-11-20(25-16(4)23)18-9-6-5-8-17(18)19/h5-12,14H,13H2,1-4H3/b12-7+
InChIKey MVXNVYDTJSLASO-KPKJPENVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 341.407 g/mol
SMILES c12c(OC\C=C\N(C(C)=O)C(C)C)ccc(c2cccc1)OC(=O)C
SPLASH splash10-0005-6910000000-7806c651aad09be41a7d
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
Synonyms Propranolol-M (HO-) -H2O isomer-2 2AC
Technique GC/MS
Wiley ID MMPW6e_938