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Fumaric acid, 2-(2-methoxyethyl)hexyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-(2-methoxyethyl)hexyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 1dU57pvXJuq
InChI InChI=1S/C19H23Cl3O5/c1-3-4-5-13(8-9-25-2)12-26-17(23)6-7-18(24)27-19-15(21)10-14(20)11-16(19)22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3/b7-6+
InChIKey WNUNXUOWHNEZNW-VOTSOKGWSA-N
Mol Weight 437.75 g/mol
Molecular Formula C19H23Cl3O5
Exact Mass 436.061107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cyHbkM8oXB
Name Fumaric acid, 2-(2-methoxyethyl)hexyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.061106936 u
Formula C19H23Cl3O5
InChI InChI=1S/C19H23Cl3O5/c1-3-4-5-13(8-9-25-2)12-26-17(23)6-7-18(24)27-19-15(21)10-14(20)11-16(19)22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3/b7-6+
InChIKey WNUNXUOWHNEZNW-VOTSOKGWSA-N
Molecular Weight 437.747 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OCC(CCCC)CCOC)=O