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Sebacic acid, 2,4-dichloronaphth-1-yl heptyl ester
SpectraBase Compound ID Be9BWirl6n3
InChI InChI=1S/C27H36Cl2O4/c1-2-3-4-9-14-19-32-25(30)17-10-7-5-6-8-11-18-26(31)33-27-22-16-13-12-15-21(22)23(28)20-24(27)29/h12-13,15-16,20H,2-11,14,17-19H2,1H3
InChIKey VFJBKBRNSLJZKW-UHFFFAOYSA-N
Mol Weight 495.5 g/mol
Molecular Formula C27H36Cl2O4
Exact Mass 494.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WGiJ8c3WXw
Name Sebacic acid, 2,4-dichloronaphth-1-yl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.199065035 u
Formula C27H36Cl2O4
InChI InChI=1S/C27H36Cl2O4/c1-2-3-4-9-14-19-32-25(30)17-10-7-5-6-8-11-18-26(31)33-27-22-16-13-12-15-21(22)23(28)20-24(27)29/h12-13,15-16,20H,2-11,14,17-19H2,1H3
InChIKey VFJBKBRNSLJZKW-UHFFFAOYSA-N
Molecular Weight 495.487 g/mol
SMILES C(CCCCC(OC1=C(C=C(C2=C1C=CC=C2)Cl)Cl)=O)CCCC(OCCCCCCC)=O