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Fumaric acid, 2-ethylbutyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-ethylbutyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID HvKepQ9xrl4
InChI InChI=1S/C16H17Cl3O4/c1-3-10(4-2)9-22-14(20)5-6-15(21)23-16-12(18)7-11(17)8-13(16)19/h5-8,10H,3-4,9H2,1-2H3/b6-5+
InChIKey LVZXEBJZINPCLB-AATRIKPKSA-N
Mol Weight 379.67 g/mol
Molecular Formula C16H17Cl3O4
Exact Mass 378.019242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Kp7rQC1gGq
Name Fumaric acid, 2-ethylbutyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.019242123 u
Formula C16H17Cl3O4
InChI InChI=1S/C16H17Cl3O4/c1-3-10(4-2)9-22-14(20)5-6-15(21)23-16-12(18)7-11(17)8-13(16)19/h5-8,10H,3-4,9H2,1-2H3/b6-5+
InChIKey LVZXEBJZINPCLB-AATRIKPKSA-N
Molecular Weight 379.667 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OCC(CC)CC)=O