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Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate
SpectraBase Compound ID 5ikSW8NxmJ8
InChI InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)
InChIKey RYOKCHIAMHPMLV-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H39NO5
Exact Mass 433.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkFpSss9tUn
Name Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate
Comments Computed using HOSE algorithm
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Exact Mass 433.282823355 u
Formula C25H39NO5
InChI InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)
InChIKey RYOKCHIAMHPMLV-UHFFFAOYSA-N
Molecular Weight 433.589 g/mol
SMILES C(C(C(=O)OCC)(CCC=1C=CC(=CC1)CCCCCCCC)NC(C)=O)(=O)OCC