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Succinic acid, 2,3,6-trichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,3,6-trichlorophenyl tridecyl ester
SpectraBase Compound ID 3jhCXv6muxX
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-29-20(27)15-16-21(28)30-23-19(25)14-13-18(24)22(23)26/h13-14H,2-12,15-17H2,1H3
InChIKey UXMDGBLLRHRALF-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7nO2V0DDKB
Name Succinic acid, 2,3,6-trichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.144442639 u
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-29-20(27)15-16-21(28)30-23-19(25)14-13-18(24)22(23)26/h13-14H,2-12,15-17H2,1H3
InChIKey UXMDGBLLRHRALF-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCCCCC)=O