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3a-atropoyltropene
SpectraBase Compound ID CvbE3egSt5C
InChI InChI=1S/C17H19NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-9,14-16H,1,10-11H2,2H3/t14-,15+,16?
InChIKey VFPXFUHIDCZKOX-XYPWUTKMSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXYYsMhPJwr
Name 3a-atropoyltropene
Alternate Name(s) (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl 2-phenylacrylate
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Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-9,14-16H,1,10-11H2,2H3/t14-,15+,16?
InChIKey VFPXFUHIDCZKOX-XYPWUTKMSA-N
Molecular Weight 269.344 g/mol
SMILES [C@@]12(N([C@@](C=C2)(CC(OC(C(c2ccccc2)=C)=O)C1)[H])C)[H]
SPLASH splash10-00rf-5940000000-020faa0ab1661adeb0aa
Source of Spectrum EMC-41-399-10
Wiley ID 1734998