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Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID 1C6lFALltcg
InChI InChI=1S/C15H13Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-5,7-8H,6H2,1-2H3/b4-3+
InChIKey VTQFBEXHYFXHSG-ONEGZZNKSA-N
Mol Weight 363.62 g/mol
Molecular Formula C15H13Cl3O4
Exact Mass 361.987942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSY2Y7nnG3R
Name Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 361.987941995 u
Formula C15H13Cl3O4
InChI InChI=1S/C15H13Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-5,7-8H,6H2,1-2H3/b4-3+
InChIKey VTQFBEXHYFXHSG-ONEGZZNKSA-N
Molecular Weight 363.624 g/mol
SMILES C(\C=C\C(OCC=C(C)C)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O