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

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichloronaphth-1-yl pentyl ester
SpectraBase Compound ID J02xhhvRI6e
InChI InChI=1S/C25H32Cl2O4/c1-2-3-12-17-30-23(28)15-8-6-4-5-7-9-16-24(29)31-25-20-14-11-10-13-19(20)21(26)18-22(25)27/h10-11,13-14,18H,2-9,12,15-17H2,1H3
InChIKey DREOFGBFUDNCRK-UHFFFAOYSA-N
Mol Weight 467.4 g/mol
Molecular Formula C25H32Cl2O4
Exact Mass 466.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DST94cD5VqG
Name Sebacic acid, 2,4-dichloronaphth-1-yl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.167764906 u
Formula C25H32Cl2O4
InChI InChI=1S/C25H32Cl2O4/c1-2-3-12-17-30-23(28)15-8-6-4-5-7-9-16-24(29)31-25-20-14-11-10-13-19(20)21(26)18-22(25)27/h10-11,13-14,18H,2-9,12,15-17H2,1H3
InChIKey DREOFGBFUDNCRK-UHFFFAOYSA-N
Molecular Weight 467.433 g/mol
SMILES C(CCCCC(OC1=C(C=C(C2=C1C=CC=C2)Cl)Cl)=O)CCCC(OCCCCC)=O