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Sebacic acid, 5-methoxy-3-methylpentyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 5-methoxy-3-methylpentyl tridecyl ester
SpectraBase Compound ID EyVecL0dKng
InChI InChI=1S/C30H58O5/c1-4-5-6-7-8-9-10-11-14-17-20-25-34-29(31)21-18-15-12-13-16-19-22-30(32)35-27-24-28(2)23-26-33-3/h28H,4-27H2,1-3H3
InChIKey KGKUYFURLXVZIL-UHFFFAOYSA-N
Mol Weight 498.8 g/mol
Molecular Formula C30H58O5
Exact Mass 498.428425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yE7ZnIngL8
Name Sebacic acid, 5-methoxy-3-methylpentyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.428424963 u
Formula C30H58O5
InChI InChI=1S/C30H58O5/c1-4-5-6-7-8-9-10-11-14-17-20-25-34-29(31)21-18-15-12-13-16-19-22-30(32)35-27-24-28(2)23-26-33-3/h28H,4-27H2,1-3H3
InChIKey KGKUYFURLXVZIL-UHFFFAOYSA-N
Molecular Weight 498.789 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCCCC)=O)(OCCC(C)CCOC)=O