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3.alpha.-(1-Methylcitraconyl)-6.beta.-angeloyloxytropane
SpectraBase Compound ID JfdkC69DtKf
InChI InChI=1S/C19H27NO6/c1-6-11(2)19(23)26-16-9-13-8-14(10-15(16)20(13)4)25-17(21)7-12(3)18(22)24-5/h6-7,13-16H,8-10H2,1-5H3/b11-6-,12-7-/t13-,14-,15+,16-/m1/s1
InChIKey HTJMXYOKUGEWDB-LINUXWBWSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LApi9oKCes
Name 3.alpha.-(1-Methylcitraconyl)-6.beta.-angeloyloxytropane
Appearance Colorless oil
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Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-6-11(2)19(23)26-16-9-13-8-14(10-15(16)20(13)4)25-17(21)7-12(3)18(22)24-5/h6-7,13-16H,8-10H2,1-5H3/b11-6-,12-7-/t13-,14-,15+,16-/m1/s1
InChIKey HTJMXYOKUGEWDB-LINUXWBWSA-N
Instrument Name Hewlett-Packard chromatograph 5890 series II or Hewlett-Packard 5972
Ionization Type EI
Literature Reference DOI 10.1021/np900780w
Molecular Weight 365.426 g/mol
Reported Formula C19H29NO6
SMILES C1[C@](C[C@]2([C@@](C[C@@]1(N2C)[H])(OC(\C(=C/C)C)=O)[H])[H])(OC(\C=C/(C(=O)OC)C)=O)[H]
SPLASH splash10-006x-9310000000-d0ce9610850b8991b164
Source of Spectrum G4-73-847-7
Wiley ID 1846442