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Sebacic acid, 2,5-dimethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dimethylphenyl undecyl ester
SpectraBase Compound ID JIiKvv6xUPR
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-12-15-18-23-32-28(30)19-16-13-10-11-14-17-20-29(31)33-27-24-25(2)21-22-26(27)3/h21-22,24H,4-20,23H2,1-3H3
InChIKey SALKLJZKJMLNBN-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbiuIOnQnF5
Name Sebacic acid, 2,5-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-12-15-18-23-32-28(30)19-16-13-10-11-14-17-20-29(31)33-27-24-25(2)21-22-26(27)3/h21-22,24H,4-20,23H2,1-3H3
InChIKey SALKLJZKJMLNBN-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCC(OC=1C(C)=CC=C(C)C1)=O)CCCC(OCCCCCCCCCCC)=O