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N-(ethoxycarbonyl)-3-endo-methyl-6-(phenylselenyl)-2-azabicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID 3ZPFTdLIPcc
InChI InChI=1S/C17H21NO2Se/c1-3-20-17(19)18-12(2)13-9-10-15(18)16(11-13)21-14-7-5-4-6-8-14/h4-8,11-13,15H,3,9-10H2,1-2H3
InChIKey AHMIXQIJNZYJJE-UHFFFAOYSA-N
Mol Weight 350.33 g/mol
Molecular Formula C17H21NO2Se
Exact Mass 351.073751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TLiaiD070f
Name N-(ethoxycarbonyl)-3-endo-methyl-6-(phenylselenyl)-2-azabicyclo[2.2.2]oct-5-ene
Alternate Name(s) N-(ethoxycarbonyl)-3-exo-methyl-6-(phenylselenyl)-2-azabicyclo[2.2.2]oct-5-ene ethyl 3-methyl-6-(phenylselanyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CAS Registry Number 113830-11-8
Comments Less than 3 mono-isotopic peaks
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Formula C17H21NO2Se
InChI InChI=1S/C17H21NO2Se/c1-3-20-17(19)18-12(2)13-9-10-15(18)16(11-13)21-14-7-5-4-6-8-14/h4-8,11-13,15H,3,9-10H2,1-2H3
InChIKey AHMIXQIJNZYJJE-UHFFFAOYSA-N
Molecular Weight 350.332 g/mol
SMILES C12N(C(C(C=C2[Se]c2ccccc2)CC1)C)C(=O)OCC
SPLASH splash10-000i-0091000000-027d4e69b4bd8913ab7b
Source of Spectrum J-53-2261-11
Wiley ID 1342504