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Fumaric acid, 2,4,6-trichlorophenyl dec-2-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4,6-trichlorophenyl dec-2-yl ester
SpectraBase Compound ID 4tajHQrGpEA
InChI InChI=1S/C20H25Cl3O4/c1-3-4-5-6-7-8-9-14(2)26-18(24)10-11-19(25)27-20-16(22)12-15(21)13-17(20)23/h10-14H,3-9H2,1-2H3/b11-10+
InChIKey GXRQJDLLNGSBBD-ZHACJKMWSA-N
Mol Weight 435.78 g/mol
Molecular Formula C20H25Cl3O4
Exact Mass 434.081842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SK1pxMZc9d
Name Fumaric acid, 2,4,6-trichlorophenyl dec-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.081842381 u
Formula C20H25Cl3O4
InChI InChI=1S/C20H25Cl3O4/c1-3-4-5-6-7-8-9-14(2)26-18(24)10-11-19(25)27-20-16(22)12-15(21)13-17(20)23/h10-14H,3-9H2,1-2H3/b11-10+
InChIKey GXRQJDLLNGSBBD-ZHACJKMWSA-N
Molecular Weight 435.775 g/mol
SMILES C(\C=C\C(OC(C)CCCCCCCC)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O