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

View entire compound with spectra: 1 NMR

Succinic acid, tetradecyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID 5QbmYWAGoOd
InChI InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-30-21(28)16-17-22(29)31-24-20(26)15-14-19(25)23(24)27/h14-15H,2-13,16-18H2,1H3
InChIKey MXILMMUPCRXAKN-UHFFFAOYSA-N
Mol Weight 493.9 g/mol
Molecular Formula C24H35Cl3O4
Exact Mass 492.160093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImxAi4bfzv5
Name Succinic acid, tetradecyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.160092703 u
Formula C24H35Cl3O4
InChI InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-30-21(28)16-17-22(29)31-24-20(26)15-14-19(25)23(24)27/h14-15H,2-13,16-18H2,1H3
InChIKey MXILMMUPCRXAKN-UHFFFAOYSA-N
Molecular Weight 493.899 g/mol
SMILES C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCCCCCC)=O