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Succinic acid, 3-chlorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3-chlorobenzyl tetradecyl ester
SpectraBase Compound ID 9eK4TsJr18y
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)17-18-25(28)30-21-22-15-14-16-23(26)20-22/h14-16,20H,2-13,17-19,21H2,1H3
InChIKey ITVDWYMQLYRMJJ-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BrEF2nPS4y
Name Succinic acid, 3-chlorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)17-18-25(28)30-21-22-15-14-16-23(26)20-22/h14-16,20H,2-13,17-19,21H2,1H3
InChIKey ITVDWYMQLYRMJJ-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C(CCC(OCC1=CC(=CC=C1)Cl)=O)(OCCCCCCCCCCCCCC)=O