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(2S,3R)-3-(1,3-benzodioxol-5-yl)-2-aziridinecarboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3R)-3-(1,3-benzodioxol-5-yl)-2-aziridinecarboxylic acid ethyl ester
SpectraBase Compound ID 7zThy7GQpDT
InChI InChI=1S/C12H13NO4/c1-2-15-12(14)11-10(13-11)7-3-4-8-9(5-7)17-6-16-8/h3-5,10-11,13H,2,6H2,1H3/t10-,11+/m1/s1
InChIKey FHMDSYJUZAKFAV-MNOVXSKESA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50WvOZhEB6
Name (2S,3R)-3-(1,3-benzodioxol-5-yl)-2-aziridinecarboxylic acid ethyl ester
Alternate Name(s) (2S,3R)-3-(1,3-benzodioxol-5-yl)ethylenimine-2-carboxylic acid ethyl ester Ethyl (2S,3R)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate
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Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-2-15-12(14)11-10(13-11)7-3-4-8-9(5-7)17-6-16-8/h3-5,10-11,13H,2,6H2,1H3/t10-,11+/m1/s1
InChIKey FHMDSYJUZAKFAV-MNOVXSKESA-N
Molecular Weight 235.239 g/mol
SMILES N1[C@@]([C@]1(C(=O)OCC)[H])(c1cc2c(cc1)OCO2)[H]
SPLASH splash10-001s-5910000000-d100fe09526748c2b0b0
Source of Spectrum KD-15-3113-7
Wiley ID 1637287