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Sebacic acid, 4-chlorophenethyl decyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chlorophenethyl decyl ester
SpectraBase Compound ID DBN6fAxOOdN
InChI InChI=1S/C28H45ClO4/c1-2-3-4-5-6-9-12-15-23-32-27(30)16-13-10-7-8-11-14-17-28(31)33-24-22-25-18-20-26(29)21-19-25/h18-21H,2-17,22-24H2,1H3
InChIKey UOFBZWWTHBKNSB-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cAjN0d5bat
Name Sebacic acid, 4-chlorophenethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-2-3-4-5-6-9-12-15-23-32-27(30)16-13-10-7-8-11-14-17-28(31)33-24-22-25-18-20-26(29)21-19-25/h18-21H,2-17,22-24H2,1H3
InChIKey UOFBZWWTHBKNSB-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES C(CCCCCCCC(OCCC1=CC=C(C=C1)Cl)=O)C(OCCCCCCCCCC)=O