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

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID EHNdOewm8U8
InChI InChI=1S/C29H56O5/c1-4-5-6-7-8-9-10-13-16-19-24-33-28(30)20-17-14-11-12-15-18-21-29(31)34-26-23-27(2)22-25-32-3/h27H,4-26H2,1-3H3
InChIKey JXCFIDBWFVOZOD-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 EIRaD5VTkt7
Name Sebacic acid, dodecyl 5-methoxy-3-methylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.412774898 u
Formula C29H56O5
InChI InChI=1S/C29H56O5/c1-4-5-6-7-8-9-10-13-16-19-24-33-28(30)20-17-14-11-12-15-18-21-29(31)34-26-23-27(2)22-25-32-3/h27H,4-26H2,1-3H3
InChIKey JXCFIDBWFVOZOD-UHFFFAOYSA-N
Molecular Weight 484.762 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCCC)=O)(OCCC(C)CCOC)=O