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Methoxymethyl methyl (2E,3E)-2,3-bis(3,4-methylenedioxybenzylidene)succinateate
SpectraBase Compound ID GgXiSnze5Mr
InChI InChI=1S/C23H20O9/c1-26-11-32-23(25)17(8-15-4-6-19-21(10-15)31-13-29-19)16(22(24)27-2)7-14-3-5-18-20(9-14)30-12-28-18/h3-10H,11-13H2,1-2H3/b16-7+,17-8+
InChIKey QETCPLJJNIEWEK-GDWCLCACSA-N
Mol Weight 440.4 g/mol
Molecular Formula C23H20O9
Exact Mass 440.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cPgT1HOJXb
Name Methoxymethyl methyl (2E,3E)-2,3-bis(3,4-methylenedioxybenzylidene)succinateate
Comments Computed using HOSE algorithm
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Exact Mass 440.110732215 u
Formula C23H20O9
InChI InChI=1S/C23H20O9/c1-26-11-32-23(25)17(8-15-4-6-19-21(10-15)31-13-29-19)16(22(24)27-2)7-14-3-5-18-20(9-14)30-12-28-18/h3-10H,11-13H2,1-2H3/b16-7+,17-8+
InChIKey QETCPLJJNIEWEK-GDWCLCACSA-N
Molecular Weight 440.404 g/mol
SMILES C1(\C=C/(\C(C(OCOC)=O)=C/C=2C=C3OCOC3=CC2)C(=O)OC)=CC=2OCOC2C=C1