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Diethylmalonic acid, nonyl tridecyl ester
SpectraBase Compound ID 2YoOEXZPAPh
InChI InChI=1S/C29H56O4/c1-5-9-11-13-15-16-17-18-20-22-24-26-33-28(31)29(7-3,8-4)27(30)32-25-23-21-19-14-12-10-6-2/h5-26H2,1-4H3
InChIKey TWRNJVAJAZVDJQ-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Er5yzLimsOW
Name Diethylmalonic acid, nonyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-5-9-11-13-15-16-17-18-20-22-24-26-33-28(31)29(7-3,8-4)27(30)32-25-23-21-19-14-12-10-6-2/h5-26H2,1-4H3
InChIKey TWRNJVAJAZVDJQ-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OCCCCCCCCC)=O)CC