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((1''S*,5''S*,6''S*)-3''-Ethyl-6''-methoxy-3''-azabicyclo[3.3.1]nonan-1''-yl)methyl 2-(3'-methyl-2',5'-dioxopyrrolidin-1'-yl)benzoate
SpectraBase Compound ID HPrHrWCsRxU
InChI InChI=1S/C24H32N2O5/c1-4-25-13-17-12-24(14-25,10-9-20(17)30-3)15-31-23(29)18-7-5-6-8-19(18)26-21(27)11-16(2)22(26)28/h5-8,16-17,20H,4,9-15H2,1-3H3/t16?,17-,20-,24-/m0/s1
InChIKey WMYVIJHORIZDRU-APBRDWTLSA-N
Mol Weight 428.5 g/mol
Molecular Formula C24H32N2O5
Exact Mass 428.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfamrcKFnBt
Name ((1''S*,5''S*,6''S*)-3''-Ethyl-6''-methoxy-3''-azabicyclo[3.3.1]nonan-1''-yl)methyl 2-(3'-methyl-2',5'-dioxopyrrolidin-1'-yl)benzoate
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Formula C24H32N2O5
InChI InChI=1S/C24H32N2O5/c1-4-25-13-17-12-24(14-25,10-9-20(17)30-3)15-31-23(29)18-7-5-6-8-19(18)26-21(27)11-16(2)22(26)28/h5-8,16-17,20H,4,9-15H2,1-3H3/t16?,17-,20-,24-/m0/s1
InChIKey WMYVIJHORIZDRU-APBRDWTLSA-N
Molecular Weight 428.529 g/mol
SMILES C(c1c(cccc1)N1C(C(CC1=O)C)=O)(=O)OC[C@]12CN(C[C@@]([C@](CC2)(OC)[H])(C1)[H])CC
SPLASH splash10-0002-0209000000-4ecaff92972524e1749f
Source of Spectrum F-68-5774-49
Wiley ID 1717400