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Succinic acid, 2,4,6-trichlorophenyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,4,6-trichlorophenyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID 3PRsBUYpBJq
InChI InChI=1S/C18H23Cl3O4/c1-11(9-18(2,3)4)10-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey KCYLYFNPPOGEIA-UHFFFAOYSA-N
Mol Weight 409.74 g/mol
Molecular Formula C18H23Cl3O4
Exact Mass 408.066192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PmxE9NYfzA
Name Succinic acid, 2,4,6-trichlorophenyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.066192317 u
Formula C18H23Cl3O4
InChI InChI=1S/C18H23Cl3O4/c1-11(9-18(2,3)4)10-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey KCYLYFNPPOGEIA-UHFFFAOYSA-N
Molecular Weight 409.737 g/mol
SMILES C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC(C)CC(C)(C)C)=O