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Octopamine 3AC
SpectraBase Compound ID Ki1ioSnFvMW
InChI InChI=1S/C14H17NO5/c1-9(16)15-14(20-11(3)18)8-12-6-4-5-7-13(12)19-10(2)17/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKey ULCVSSCBCHGBLM-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmOhpNzaXfK
Name Octopamine 3AC
Classification Sympathomimetic
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Exact Mass 279.110672646 u
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-9(16)15-14(20-11(3)18)8-12-6-4-5-7-13(12)19-10(2)17/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKey ULCVSSCBCHGBLM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 279.292 g/mol
Related CAS Registry Number(s) 104-14-3
SMILES CC(NC(OC(=O)C)Cc1c(OC(=O)C)cccc1)=O
SPLASH splash10-00di-7910000000-582797f567ce2437e350
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_2808