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Fumaric acid, 2,4,6-trichlorophenyl 2-methylpent-3-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4,6-trichlorophenyl 2-methylpent-3-yl ester
SpectraBase Compound ID 5yUDqecy1Ac
InChI InChI=1S/C16H17Cl3O4/c1-4-13(9(2)3)22-14(20)5-6-15(21)23-16-11(18)7-10(17)8-12(16)19/h5-9,13H,4H2,1-3H3/b6-5+
InChIKey ULNIYEKYZALERC-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 8b3jGjZMu0I
Name Fumaric acid, 2,4,6-trichlorophenyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.019242123 u
Formula C16H17Cl3O4
InChI InChI=1S/C16H17Cl3O4/c1-4-13(9(2)3)22-14(20)5-6-15(21)23-16-11(18)7-10(17)8-12(16)19/h5-9,13H,4H2,1-3H3/b6-5+
InChIKey ULNIYEKYZALERC-AATRIKPKSA-N
Molecular Weight 379.667 g/mol
SMILES C(\C=C\C(OC(CC)C(C)C)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O