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Ethyl N-[2-diethylaminoethyl]-N-[2,4-dinitrophenyl]glycinate
SpectraBase Compound ID AT7rKTTsVpf
InChI InChI=1S/C16H24N4O6/c1-4-17(5-2)9-10-18(12-16(21)26-6-3)14-8-7-13(19(22)23)11-15(14)20(24)25/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKey GBBRJYUHKUSCBS-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C16H24N4O6
Exact Mass 368.169585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2BGa4K7vi4
Name Ethyl N-[2-diethylaminoethyl]-N-[2,4-dinitrophenyl]glycinate
Comments Computed using HOSE algorithm
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Exact Mass 368.169584503 u
Formula C16H24N4O6
InChI InChI=1S/C16H24N4O6/c1-4-17(5-2)9-10-18(12-16(21)26-6-3)14-8-7-13(19(22)23)11-15(14)20(24)25/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKey GBBRJYUHKUSCBS-UHFFFAOYSA-N
Molecular Weight 368.390 g/mol
SMILES C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)N(CC(OCC)=O)CCN(CC)CC