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Fumaric acid, decyl 2,3,4,6-tetrachlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, decyl 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID OeEOLjVGz
InChI InChI=1S/C20H24Cl4O4/c1-2-3-4-5-6-7-8-9-12-27-16(25)10-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h10-11,13H,2-9,12H2,1H3/b11-10+
InChIKey XGVVNHSYZDSMHW-ZHACJKMWSA-N
Mol Weight 470.2 g/mol
Molecular Formula C20H24Cl4O4
Exact Mass 468.04287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRhBlC2njK4
Name Fumaric acid, decyl 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.042870049 u
Formula C20H24Cl4O4
InChI InChI=1S/C20H24Cl4O4/c1-2-3-4-5-6-7-8-9-12-27-16(25)10-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h10-11,13H,2-9,12H2,1H3/b11-10+
InChIKey XGVVNHSYZDSMHW-ZHACJKMWSA-N
Molecular Weight 470.220 g/mol
SMILES C1(=CC(Cl)=C(OC(\C=C\C(OCCCCCCCCCC)=O)=O)C(=C1Cl)Cl)Cl