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Succinic acid, pentadecyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID 6XuFNCafFM1
InChI InChI=1S/C25H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-31-22(29)17-18-23(30)32-25-21(27)16-15-20(26)24(25)28/h15-16H,2-14,17-19H2,1H3
InChIKey BYEZQRLTMPJVRB-UHFFFAOYSA-N
Mol Weight 507.9 g/mol
Molecular Formula C25H37Cl3O4
Exact Mass 506.175743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYqdzgcE5Jn
Name Succinic acid, pentadecyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.175742767 u
Formula C25H37Cl3O4
InChI InChI=1S/C25H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-31-22(29)17-18-23(30)32-25-21(27)16-15-20(26)24(25)28/h15-16H,2-14,17-19H2,1H3
InChIKey BYEZQRLTMPJVRB-UHFFFAOYSA-N
Molecular Weight 507.926 g/mol
SMILES C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCCCCCCC)=O