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Ethyl 2-[N-methyl-N-[(E,E)-4,8,12-trimethyl-3,7,11-tridecatrienylamino]ethanoate
SpectraBase Compound ID VdAA2KCgGH
InChI InChI=1S/C21H37NO2/c1-7-24-21(23)17-22(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15H,7-10,12,14,16-17H2,1-6H3/b19-13+,20-15+
InChIKey KLQZVHPZKLSRCG-YLYRKCBPSA-N
Mol Weight 335.5 g/mol
Molecular Formula C21H37NO2
Exact Mass 335.282429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Frq4ULOjJCo
Name Ethyl 2-[N-methyl-N-[(E,E)-4,8,12-trimethyl-3,7,11-tridecatrienylamino]ethanoate
Comments Computed using HOSE algorithm
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Exact Mass 335.282429433 u
Formula C21H37NO2
InChI InChI=1S/C21H37NO2/c1-7-24-21(23)17-22(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15H,7-10,12,14,16-17H2,1-6H3/b19-13+,20-15+
InChIKey KLQZVHPZKLSRCG-YLYRKCBPSA-N
Molecular Weight 335.532 g/mol
SMILES C(=O)(CN(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)OCC