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(2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxopyrrolidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID 1HcxWUjt52i
InChI InChI=1S/C18H21NO6/c1-17-10-23-18(24-11-17,25-12-17)14-7-8-15(20)19(14)16(21)22-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-,17?,18?/m0/s1
InChIKey KPIWSYDMIOTRGQ-NNGSBXSVSA-N
Mol Weight 347.37 g/mol
Molecular Formula C18H21NO6
Exact Mass 347.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DusxRJdojG6
Name (2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxopyrrolidine-1-carboxylic acid benzyl ester
Alternate Name(s) (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxo-1-pyrrolidinecarboxylic acid (phenylmethyl) ester benzyl (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxopyrrolidine-1-carboxylate benzyl (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxo-pyrrolidine-1-carboxylate (phenylmethyl) (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxidanylidene-pyrrolidine-1-carboxylate
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Formula C18H21NO6
InChI InChI=1S/C18H21NO6/c1-17-10-23-18(24-11-17,25-12-17)14-7-8-15(20)19(14)16(21)22-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-,17?,18?/m0/s1
InChIKey KPIWSYDMIOTRGQ-NNGSBXSVSA-N
Molecular Weight 347.367 g/mol
SMILES [C@]1(N(C(CC1)=O)C(OCc1ccccc1)=O)(C12OCC(CO2)(C)CO1)[H]
SPLASH splash10-052f-9513000000-e7db25bd9580fde3b2fc
Source of Spectrum F-59-220-8a
Wiley ID 1676689