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Succinic acid, 3,7-dimethyloct-6-en-1-yl heptadecyl ester
SpectraBase Compound ID 379Hazxk8mx
InChI InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-34-30(32)23-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,29H,5-20,22-27H2,1-4H3
InChIKey FFMPJYWZEHSRPH-UHFFFAOYSA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H58O4
Exact Mass 494.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Zns2QCPhT9
Name Succinic acid, 3,7-dimethyloct-6-en-1-yl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.433510344 u
Formula C31H58O4
InChI InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-34-30(32)23-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,29H,5-20,22-27H2,1-4H3
InChIKey FFMPJYWZEHSRPH-UHFFFAOYSA-N
Molecular Weight 494.801 g/mol
SMILES CC(C)=CCCC(C)CCOC(CCC(OCCCCCCCCCCCCCCCCC)=O)=O