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(5-Ethoxycarbonylmethyl-3,7-dimethyl-9-oxo-3,7-diaza-bicyclo[3.3.1]non-1-yl)-acetic acid ethyl ester
SpectraBase Compound ID Exr1qIASvE2
InChI InChI=1S/C17H28N2O5/c1-5-23-13(20)7-16-9-18(3)11-17(15(16)22,12-19(4)10-16)8-14(21)24-6-2/h5-12H2,1-4H3/t16-,17+
InChIKey VDCREDRRGMYFQC-CALCHBBNSA-N
Mol Weight 340.42 g/mol
Molecular Formula C17H28N2O5
Exact Mass 340.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wabZItmwr9
Name (5-Ethoxycarbonylmethyl-3,7-dimethyl-9-oxo-3,7-diaza-bicyclo[3.3.1]non-1-yl)-acetic acid ethyl ester
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Formula C17H28N2O5
InChI InChI=1S/C17H28N2O5/c1-5-23-13(20)7-16-9-18(3)11-17(15(16)22,12-19(4)10-16)8-14(21)24-6-2/h5-12H2,1-4H3/t16-,17+
InChIKey VDCREDRRGMYFQC-CALCHBBNSA-N
Molecular Weight 340.420 g/mol
SMILES [C@]12(C([C@](CC(=O)OCC)(CN(C2)C)CN(C1)C)=O)CC(=O)OCC
SPLASH splash10-052f-9230000000-cbf0e4d6e8ab478bcacc
Synonyms 2-[5-(2-ethoxy-2-keto-ethyl)-9-keto-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-1-yl]acetic acid ethyl ester 2-[5-(2-ethoxy-2-oxoethyl)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-1-yl]acetic acid ethyl ester Ethyl 2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-3,7-dimethyl-9-oxidanylidene-3,7-diazabicyclo[3.3.1]nonan-1-yl]ethanoate Ethyl 2-[5-(2-ethoxy-2-oxo-ethyl)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-1-yl]acetate
Wiley ID 1454026