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Sebacic acid, 2-ethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-ethylphenyl undecyl ester
SpectraBase Compound ID 3yk2ebTsr0H
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-12-15-20-25-32-28(30)23-16-13-10-11-14-17-24-29(31)33-27-22-19-18-21-26(27)4-2/h18-19,21-22H,3-17,20,23-25H2,1-2H3
InChIKey ALHIDPKDJVYPBF-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 2USXM4cNgGD
Name Sebacic acid, 2-ethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-12-15-20-25-32-28(30)23-16-13-10-11-14-17-24-29(31)33-27-22-19-18-21-26(27)4-2/h18-19,21-22H,3-17,20,23-25H2,1-2H3
InChIKey ALHIDPKDJVYPBF-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(C(OC=1C(CC)=CC=CC1)=O)CCCCCCCC(OCCCCCCCCCCC)=O