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Sebacic acid, 2-(2-chlorophenoxy)ethyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(2-chlorophenoxy)ethyl undecyl ester
SpectraBase Compound ID 2BxF1EuCowR
InChI InChI=1S/C29H47ClO5/c1-2-3-4-5-6-7-10-13-18-23-34-28(31)21-14-11-8-9-12-15-22-29(32)35-25-24-33-27-20-17-16-19-26(27)30/h16-17,19-20H,2-15,18,21-25H2,1H3
InChIKey MDNOKWIULWAYBZ-UHFFFAOYSA-N
Mol Weight 511.1 g/mol
Molecular Formula C29H47ClO5
Exact Mass 510.311202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLrey04H1v7
Name Sebacic acid, 2-(2-chlorophenoxy)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.311202308 u
Formula C29H47ClO5
InChI InChI=1S/C29H47ClO5/c1-2-3-4-5-6-7-10-13-18-23-34-28(31)21-14-11-8-9-12-15-22-29(32)35-25-24-33-27-20-17-16-19-26(27)30/h16-17,19-20H,2-15,18,21-25H2,1H3
InChIKey MDNOKWIULWAYBZ-UHFFFAOYSA-N
Molecular Weight 511.143 g/mol
SMILES C(CCCCCCCC(OCCOC1=C(C=CC=C1)Cl)=O)C(OCCCCCCCCCCC)=O