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Sebacic acid, 2,4-dichloronaphth-1-yl octyl ester

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Sebacic acid, 2,4-dichloronaphth-1-yl octyl ester
SpectraBase Compound ID K385qjV4lhO
InChI InChI=1S/C28H38Cl2O4/c1-2-3-4-5-10-15-20-33-26(31)18-11-8-6-7-9-12-19-27(32)34-28-23-17-14-13-16-22(23)24(29)21-25(28)30/h13-14,16-17,21H,2-12,15,18-20H2,1H3
InChIKey WFZCWXMRBPBICY-UHFFFAOYSA-N
Mol Weight 509.5 g/mol
Molecular Formula C28H38Cl2O4
Exact Mass 508.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FV18WqM3skr
Name Sebacic acid, 2,4-dichloronaphth-1-yl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.214715100 u
Formula C28H38Cl2O4
InChI InChI=1S/C28H38Cl2O4/c1-2-3-4-5-10-15-20-33-26(31)18-11-8-6-7-9-12-19-27(32)34-28-23-17-14-13-16-22(23)24(29)21-25(28)30/h13-14,16-17,21H,2-12,15,18-20H2,1H3
InChIKey WFZCWXMRBPBICY-UHFFFAOYSA-N
Molecular Weight 509.514 g/mol
SMILES C(CCCCC(OC1=C(C=C(C2=C1C=CC=C2)Cl)Cl)=O)CCCC(OCCCCCCCC)=O