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Diethylmalonic acid, 4-cyanophenyl undecyl ester

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Diethylmalonic acid, 4-cyanophenyl undecyl ester
SpectraBase Compound ID LtZkMlGrxDs
InChI InChI=1S/C25H37NO4/c1-4-7-8-9-10-11-12-13-14-19-29-23(27)25(5-2,6-3)24(28)30-22-17-15-21(20-26)16-18-22/h15-18H,4-14,19H2,1-3H3
InChIKey FELHLYGOFIMNCK-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO4
Exact Mass 415.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 120ittTdO8S
Name Diethylmalonic acid, 4-cyanophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.272258671 u
Formula C25H37NO4
InChI InChI=1S/C25H37NO4/c1-4-7-8-9-10-11-12-13-14-19-29-23(27)25(5-2,6-3)24(28)30-22-17-15-21(20-26)16-18-22/h15-18H,4-14,19H2,1-3H3
InChIKey FELHLYGOFIMNCK-UHFFFAOYSA-N
Molecular Weight 415.574 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C#N)=O)CC