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Homatropine AC
SpectraBase Compound ID BdUMSSzn5nE
InChI InChI=1S/C18H23NO4/c1-12(20)22-17(13-6-4-3-5-7-13)18(21)23-16-10-14-8-9-15(11-16)19(14)2/h3-7,14-17H,8-11H2,1-2H3
InChIKey WBXYZVKJHNOZNN-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qMqM29pQTx
Name Homatropine AC
Classification Anticholinergic
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Exact Mass 317.162708221 u
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-12(20)22-17(13-6-4-3-5-7-13)18(21)23-16-10-14-8-9-15(11-16)19(14)2/h3-7,14-17H,8-11H2,1-2H3
InChIKey WBXYZVKJHNOZNN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.385 g/mol
Related CAS Registry Number(s) 87-00-3
SMILES C12CCC(N2C)CC(C1)OC(=O)C(OC(C)=O)c1ccccc1
SPLASH splash10-00di-9800000000-a4ea64ebec33e7cd367d
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_6264