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Succinic acid, 2-ethylbutyl nonadecyl ester
SpectraBase Compound ID 76PMj204uYS
InChI InChI=1S/C29H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(30)23-24-29(31)33-26-27(5-2)6-3/h27H,4-26H2,1-3H3
InChIKey XRHFDFKDHIMHQG-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 JEsF5pcLcWv
Name Succinic acid, 2-ethylbutyl nonadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(30)23-24-29(31)33-26-27(5-2)6-3/h27H,4-26H2,1-3H3
InChIKey XRHFDFKDHIMHQG-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(C(OCC(CC)CC)=O)CC(OCCCCCCCCCCCCCCCCCCC)=O