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3-(1,3-Benzodioxol-5-yl)-4-(2-methoxycarbonylethyl)-N-methyl-4-nitropyrrolidine

View entire compound with spectra: 1 MS (GC)

3-(1,3-Benzodioxol-5-yl)-4-(2-methoxycarbonylethyl)-N-methyl-4-nitropyrrolidine
SpectraBase Compound ID JgNoP6CMqS6
InChI InChI=1S/C16H20N2O6/c1-17-8-12(11-3-4-13-14(7-11)24-10-23-13)16(9-17,18(20)21)6-5-15(19)22-2/h3-4,7,12H,5-6,8-10H2,1-2H3/t12-,16-/m1/s1
InChIKey QAECIWZKJSKNCK-MLGOLLRUSA-N
Mol Weight 336.34 g/mol
Molecular Formula C16H20N2O6
Exact Mass 336.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 168vwXvRYG
Name 3-(1,3-Benzodioxol-5-yl)-4-(2-methoxycarbonylethyl)-N-methyl-4-nitropyrrolidine
Alternate Name(s) 3-((3S,4S)-4-Benzo[1,3]dioxol-5-yl-1-methyl-3-nitro-pyrrolidin-3-yl)-propionic acid methyl ester Methyl 3-[4-(1,3-benzodioxol-5-yl)-1-methyl-3-nitro-3-pyrrolidinyl]propanoate
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Formula C16H20N2O6
InChI InChI=1S/C16H20N2O6/c1-17-8-12(11-3-4-13-14(7-11)24-10-23-13)16(9-17,18(20)21)6-5-15(19)22-2/h3-4,7,12H,5-6,8-10H2,1-2H3/t12-,16-/m1/s1
InChIKey QAECIWZKJSKNCK-MLGOLLRUSA-N
Molecular Weight 336.344 g/mol
SMILES [C@@]1(N(=O)=O)([C@@](c2cc3OCOc3cc2)(CN(C1)C)[H])CCC(=O)OC
SPLASH splash10-05mo-8951000000-8f187e1c2cac9e3a6e86
Source of Spectrum F-51-11494-12
Wiley ID 794017