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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 4kR4lVjY9Y
Name Fenoterol -H2O 4AC
Classification Sympathomimetic
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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
Related CAS Registry Number(s) 13392-18-2
SMILES c1(ccc(cc1)OC(C)=O)CC(N(\C=C\c1cc(cc(OC(=O)C)c1)OC(C)=O)C(=O)C)C
SPLASH splash10-03di-0491000000-07aeea7b28668c147682
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
Technique GC/MS
Wiley ID MMPW6e_3146