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Benzoic acid, 3-(2,3-dimethoxy-4,5-methylenedioxyphenyl)propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzoic acid, 3-(2,3-dimethoxy-4,5-methylenedioxyphenyl)propyl ester
SpectraBase Compound ID 3mx2LdtSory
InChI InChI=1S/C19H20O6/c1-21-16-14(11-15-17(18(16)22-2)25-12-24-15)9-6-10-23-19(20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKey STHNKYXCDKGCJL-UHFFFAOYSA-N
Mol Weight 344.36 g/mol
Molecular Formula C19H20O6
Exact Mass 344.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nSi4R8T7Gf
Name Benzoic acid, 3-(2,3-dimethoxy-4,5-methylenedioxyphenyl)propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.125988358 u
Formula C19H20O6
InChI InChI=1S/C19H20O6/c1-21-16-14(11-15-17(18(16)22-2)25-12-24-15)9-6-10-23-19(20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKey STHNKYXCDKGCJL-UHFFFAOYSA-N
Molecular Weight 344.363 g/mol
SMILES C1(C(OCCCC2=CC3=C(C(=C2OC)OC)OCO3)=O)=CC=CC=C1