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Succinic acid, eicosyl 3-hexyl ester
SpectraBase Compound ID 93qsrDisLqZ
InChI InChI=1S/C30H58O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-33-29(31)25-26-30(32)34-28(6-3)24-5-2/h28H,4-27H2,1-3H3
InChIKey RVMJMIKGAJXJDT-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AC9hGayCn31
Name Succinic acid, eicosyl 3-hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-33-29(31)25-26-30(32)34-28(6-3)24-5-2/h28H,4-27H2,1-3H3
InChIKey RVMJMIKGAJXJDT-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(C(OC(CC)CCC)=O)CC(OCCCCCCCCCCCCCCCCCCCC)=O