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Prenalterol -H2O 2AC
SpectraBase Compound ID 85V4v40LYWF
InChI InChI=1S/C16H21NO4/c1-12(2)17(13(3)18)10-5-11-20-15-6-8-16(9-7-15)21-14(4)19/h5-9,11-12H,10H2,1-4H3/b11-5-
InChIKey VWTWRQYPNXAVSR-WZUFQYTHSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKsyXwqPf7G
Name Prenalterol -H2O 2AC
Classification Sympathomimetic
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Exact Mass 291.147058156 u
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-12(2)17(13(3)18)10-5-11-20-15-6-8-16(9-7-15)21-14(4)19/h5-9,11-12H,10H2,1-4H3/b11-5-
InChIKey VWTWRQYPNXAVSR-WZUFQYTHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 291.347 g/mol
SMILES c1c(ccc(c1)OC(C)=O)O\C=C/CN(C(C)C)C(=O)C
SPLASH splash10-0a4m-9550000000-39318ada88d340d191ee
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_1859