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Sebacic acid, 2,4-dichlorophenethyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenethyl nonyl ester
SpectraBase Compound ID BkPhuzaaQoI
InChI InChI=1S/C27H42Cl2O4/c1-2-3-4-5-8-11-14-20-32-26(30)15-12-9-6-7-10-13-16-27(31)33-21-19-23-17-18-24(28)22-25(23)29/h17-18,22H,2-16,19-21H2,1H3
InChIKey IEPJPQVAQDEJHN-UHFFFAOYSA-N
Mol Weight 501.5 g/mol
Molecular Formula C27H42Cl2O4
Exact Mass 500.246015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WNAMtT2OZI
Name Sebacic acid, 2,4-dichlorophenethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.246015228 u
Formula C27H42Cl2O4
InChI InChI=1S/C27H42Cl2O4/c1-2-3-4-5-8-11-14-20-32-26(30)15-12-9-6-7-10-13-16-27(31)33-21-19-23-17-18-24(28)22-25(23)29/h17-18,22H,2-16,19-21H2,1H3
InChIKey IEPJPQVAQDEJHN-UHFFFAOYSA-N
Molecular Weight 501.535 g/mol
SMILES C(CCCCCCCC(OCCC1=C(C=C(C=C1)Cl)Cl)=O)C(OCCCCCCCCC)=O