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(E)-3-[(2S,3R)-1-benzoyl-3-methyl-2-aziridinyl]-2-propenoic acid ethyl ester
SpectraBase Compound ID CdbWq0icmqI
InChI InChI=1S/C15H17NO3/c1-3-19-14(17)10-9-13-11(2)16(13)15(18)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3/b10-9+/t11-,13+,16?/m1/s1
InChIKey CUFIPBOEBOJPOM-HIRCZRRWSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab5plqJYsIP
Name (E)-3-[(2S,3R)-1-benzoyl-3-methyl-2-aziridinyl]-2-propenoic acid ethyl ester
Alternate Name(s) (E)-3-[(2S,3R)-1-benzoyl-3-methyl-ethylenimin-2-yl]acrylic acid ethyl ester Ethyl (E)-3-[(2S,3R)-1-benzoyl-3-methyl-aziridin-2-yl]prop-2-enoate Ethyl (E)-3-[(2S,3R)-3-methyl-1-(phenylcarbonyl)aziridin-2-yl]prop-2-enoate
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Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-3-19-14(17)10-9-13-11(2)16(13)15(18)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3/b10-9+/t11-,13+,16?/m1/s1
InChIKey CUFIPBOEBOJPOM-HIRCZRRWSA-N
Molecular Weight 259.305 g/mol
SMILES [C@@]1(N([C@@]1(C)[H])C(=O)c1ccccc1)(\C=C\C(=O)OCC)[H]
SPLASH splash10-0a4i-0900000000-b8cab4b7bab79f55d74e
Source of Spectrum J-59-4880-9
Wiley ID 1262802