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1,2-Diethyl 4,5-bis(2-hydroxyethyl) benzene-1,2,4,5-tetracarboxylate
SpectraBase Compound ID Ahbxti2cPvu
InChI InChI=1S/C18H22O10/c1-3-25-15(21)11-9-13(17(23)27-7-5-19)14(18(24)28-8-6-20)10-12(11)16(22)26-4-2/h9-10,19-20H,3-8H2,1-2H3
InChIKey BBSYKEAIFNGOJU-UHFFFAOYSA-N
Mol Weight 398.36 g/mol
Molecular Formula C18H22O10
Exact Mass 398.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKcauEQOFrX
Name 1,2-Diethyl 4,5-bis(2-hydroxyethyl) benzene-1,2,4,5-tetracarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 398.121296898 u
Formula C18H22O10
InChI InChI=1S/C18H22O10/c1-3-25-15(21)11-9-13(17(23)27-7-5-19)14(18(24)28-8-6-20)10-12(11)16(22)26-4-2/h9-10,19-20H,3-8H2,1-2H3
InChIKey BBSYKEAIFNGOJU-UHFFFAOYSA-N
Molecular Weight 398.364 g/mol
SMILES C=1(C(=O)OCC)C=C(C(OCCO)=O)C(=CC1C(OCC)=O)C(=O)OCCO