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Succinic acid, 2-chlorophenethyl tridecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-chlorophenethyl tridecyl ester
SpectraBase Compound ID 3A6o8yWOTmt
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-29-24(27)17-18-25(28)30-21-19-22-15-12-13-16-23(22)26/h12-13,15-16H,2-11,14,17-21H2,1H3
InChIKey BFNMDNRHLRPQPC-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 7iblXZDRO6u
Name Succinic acid, 2-chlorophenethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-29-24(27)17-18-25(28)30-21-19-22-15-12-13-16-23(22)26/h12-13,15-16H,2-11,14,17-21H2,1H3
InChIKey BFNMDNRHLRPQPC-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C(CCC(OCCC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCCCCC)=O