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

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(2-chlorophenoxy)ethyl decyl ester
SpectraBase Compound ID 1lPbIRMnGd0
InChI InChI=1S/C28H45ClO5/c1-2-3-4-5-6-9-12-17-22-33-27(30)20-13-10-7-8-11-14-21-28(31)34-24-23-32-26-19-16-15-18-25(26)29/h15-16,18-19H,2-14,17,20-24H2,1H3
InChIKey VLTDRPHWDMDXMZ-UHFFFAOYSA-N
Mol Weight 497.1 g/mol
Molecular Formula C28H45ClO5
Exact Mass 496.295552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dnkkPwoX0K
Name Sebacic acid, 2-(2-chlorophenoxy)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.295552244 u
Formula C28H45ClO5
InChI InChI=1S/C28H45ClO5/c1-2-3-4-5-6-9-12-17-22-33-27(30)20-13-10-7-8-11-14-21-28(31)34-24-23-32-26-19-16-15-18-25(26)29/h15-16,18-19H,2-14,17,20-24H2,1H3
InChIKey VLTDRPHWDMDXMZ-UHFFFAOYSA-N
Molecular Weight 497.116 g/mol
SMILES C(CCCCCCCC(OCCOC1=C(C=CC=C1)Cl)=O)C(OCCCCCCCCCC)=O