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7-Benzoyloxymethyl-1-azabicyclo[4.3.0]nonane isomer
SpectraBase Compound ID HaYh9HsCjw8
InChI InChI=1S/C16H21NO2/c18-16(13-6-2-1-3-7-13)19-12-14-9-11-17-10-5-4-8-15(14)17/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey VGEJWOVWPNUMOC-CABCVRRESA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Inrpz9ShVtO
Name 7-Benzoyloxymethyl-1-azabicyclo[4.3.0]nonane isomer
Comments Less than 3 mono-isotopic peaks
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Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c18-16(13-6-2-1-3-7-13)19-12-14-9-11-17-10-5-4-8-15(14)17/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey VGEJWOVWPNUMOC-CABCVRRESA-N
Molecular Weight 259.349 g/mol
SMILES [C@@]12(N(CC[C@@]2(COC(=O)c2ccccc2)[H])CCCC1)[H]
SPLASH splash10-004i-9000000000-d7516da55ad8f1ab1c3c
Source of Spectrum Y1-35-96-17
Synonyms benzoic acid [(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methyl ester [(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methyl benzoate
Wiley ID 1526609