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Alprenolol-M +H2O 4AC
SpectraBase Compound ID 7dR83qj3QXf
InChI InChI=1S/C20H26O9/c1-12(27-14(3)22)8-17-9-18(28-15(4)23)6-7-20(17)26-11-19(29-16(5)24)10-25-13(2)21/h6-7,9,12,19H,8,10-11H2,1-5H3
InChIKey XCGBFJXUDBUTAP-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C20H26O9
Exact Mass 410.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A8dXcN8ls
Name Alprenolol-M +H2O 4AC
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 410.157682408 u
Formula C20H26O9
InChI InChI=1S/C20H26O9/c1-12(27-14(3)22)8-17-9-18(28-15(4)23)6-7-20(17)26-11-19(29-16(5)24)10-25-13(2)21/h6-7,9,12,19H,8,10-11H2,1-5H3
InChIKey XCGBFJXUDBUTAP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 410.419 g/mol
SMILES c1c(OCC(COC(C)=O)OC(=O)C)c(CC(OC(C)=O)C)cc(c1)OC(=O)C
SPLASH splash10-0a4i-3910000000-56dc0d100b719a1126ed
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
Synonyms Alprenolol-M (deamino-di-HO-) +H2O 4AC
Technique GC/MS
Wiley ID MMPW6e_1576