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Sebacic acid, 4-methoxy-2-methylbutyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-methoxy-2-methylbutyl tridecyl ester
SpectraBase Compound ID 3Hv4tMzvOLW
InChI InChI=1S/C29H56O5/c1-4-5-6-7-8-9-10-11-14-17-20-24-33-28(30)21-18-15-12-13-16-19-22-29(31)34-26-27(2)23-25-32-3/h27H,4-26H2,1-3H3
InChIKey DXNHWTINGRNRTG-UHFFFAOYSA-N
Mol Weight 484.8 g/mol
Molecular Formula C29H56O5
Exact Mass 484.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sX5R2o4LIp
Name Sebacic acid, 4-methoxy-2-methylbutyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.412774898 u
Formula C29H56O5
InChI InChI=1S/C29H56O5/c1-4-5-6-7-8-9-10-11-14-17-20-24-33-28(30)21-18-15-12-13-16-19-22-29(31)34-26-27(2)23-25-32-3/h27H,4-26H2,1-3H3
InChIKey DXNHWTINGRNRTG-UHFFFAOYSA-N
Molecular Weight 484.762 g/mol
SMILES C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCCCCCCCCCCC)=O