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Sebacic acid, decyl 4-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 4-methoxybenzyl ester
SpectraBase Compound ID 1mVtztmcL8m
InChI InChI=1S/C28H46O5/c1-3-4-5-6-7-10-13-16-23-32-27(29)17-14-11-8-9-12-15-18-28(30)33-24-25-19-21-26(31-2)22-20-25/h19-22H,3-18,23-24H2,1-2H3
InChIKey RPCNZONJOOTMEX-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFCenzTq2Sa
Name Sebacic acid, decyl 4-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-3-4-5-6-7-10-13-16-23-32-27(29)17-14-11-8-9-12-15-18-28(30)33-24-25-19-21-26(31-2)22-20-25/h19-22H,3-18,23-24H2,1-2H3
InChIKey RPCNZONJOOTMEX-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCCCCCCCC)=O