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Fenoterol -H2O 4AC
SpectraBase Compound ID 9Bn32f86RTh
InChI InChI=1S/C25H27NO7/c1-16(12-21-6-8-23(9-7-21)31-18(3)28)26(17(2)27)11-10-22-13-24(32-19(4)29)15-25(14-22)33-20(5)30/h6-11,13-16H,12H2,1-5H3/b11-10+
InChIKey MAXPLVAOBUQNIG-ZHACJKMWSA-N
Mol Weight 453.49 g/mol
Molecular Formula C25H27NO7
Exact Mass 453.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIJMcGJGOUi
Name Fenoterol-A (-H2O) 4AC
Classification Pharmaceutical drug artifact derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 453.178752206 u
Formula C25H27NO7
InChI InChI=1S/C25H27NO7/c1-16(12-21-6-8-23(9-7-21)31-18(3)28)26(17(2)27)11-10-22-13-24(32-19(4)29)15-25(14-22)33-20(5)30/h6-11,13-16H,12H2,1-5H3/b11-10+
InChIKey MAXPLVAOBUQNIG-ZHACJKMWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 453.491 g/mol
Nominal Mass 453 u
Quality 745
Retention Index 3360
SMILES C=1(C=C(C=C(C1)OC(=O)C)OC(=O)C)\C=C\N(C(CC=1C=CC(=CC1)OC(=O)C)C)C(=O)C
SPLASH splash10-03fr-0950000000-388f5069d784991babbd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-((E)-2-(acetyl(1-(4-(acetyloxy)phenyl)propan-2-yl)amino)ethenyl)-5-(acetyloxy)phenyl acetate
Technique GC/MS
Wiley ID DD2024_007822