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Aminorex 2AC
SpectraBase Compound ID CMokT4ibKZG
InChI InChI=1S/C13H14N2O3/c1-9(16)15(10(2)17)13-14-8-12(18-13)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey CLRVYRYEYBWBIK-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eBgNDYr9U
Name Aminorex isomer-1 2AC
Classification Anorectic
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Exact Mass 246.100442316 u
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-9(16)15(10(2)17)13-14-8-12(18-13)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey CLRVYRYEYBWBIK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 246.266 g/mol
SMILES c1cccc(c1)C1CN=C(O1)N(C(C)=O)C(C)=O
SPLASH splash10-0w29-6940000000-66b04283c2c6e60bea7c
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_3203