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Betahistine AC
SpectraBase Compound ID AlU01E19aTE
InChI InChI=1S/C10H14N2O/c1-9(13)12(2)8-6-10-5-3-4-7-11-10/h3-5,7H,6,8H2,1-2H3
InChIKey CBXVHIXFHYYDRK-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C10H14N2O
Exact Mass 178.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkTDD93I1Vi
Name Betahistine AC
Classification Antiemetic
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Exact Mass 178.110613078 u
Formula C10H14N2O
InChI InChI=1S/C10H14N2O/c1-9(13)12(2)8-6-10-5-3-4-7-11-10/h3-5,7H,6,8H2,1-2H3
InChIKey CBXVHIXFHYYDRK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 178.235 g/mol
Related CAS Registry Number(s) 5638-76-6
SMILES C(N(CCc1ncccc1)C)(=O)C
SPLASH splash10-0a4u-9800000000-f0f3ed5af4c4accd6201
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_5173