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Ethyl 2-benzoyl-2-azabicyclo[2.2.1]hept-5-ene-3-exo-carboxylate isomer
SpectraBase Compound ID HYX6oADhvoE
InChI InChI=1S/C16H17NO3/c1-2-20-16(19)14-12-8-9-13(10-12)17(14)15(18)11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3
InChIKey JTTCTNGIBSKGPA-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ryUyzpxowI
Name Ethyl 2-benzoyl-2-azabicyclo[2.2.1]hept-5-ene-3-exo-carboxylate isomer
Alternate Name(s) Ethyl 2-benzoyl-2-azabicyclo[2.2.1]hept-5-ene-3-endo-carboxylate Ethyl 2-benzoyl-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
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Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-2-20-16(19)14-12-8-9-13(10-12)17(14)15(18)11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3
InChIKey JTTCTNGIBSKGPA-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES C(N1C2C=CC(C1C(=O)OCC)C2)(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-87fdfc0cf79cdadf0cc0
Source of Spectrum AJ-65-63-4
Wiley ID 771316