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4-Methoxy-3-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-oxobutanoic acid

View entire compound with spectra: 1 NMR

4-Methoxy-3-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-oxobutanoic acid
SpectraBase Compound ID AoCaWEasUBv
InChI InChI=1S/C14H16O7/c1-18-10-4-8(5-11-13(10)21-7-20-11)3-9(6-12(15)16)14(17)19-2/h4-5,9H,3,6-7H2,1-2H3,(H,15,16)
InChIKey RVQVGCFGFOOLMA-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C14H16O7
Exact Mass 296.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEaSe3TqDjb
Name 4-Methoxy-3-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-oxobutanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.089602848 u
Formula C14H16O7
InChI InChI=1S/C14H16O7/c1-18-10-4-8(5-11-13(10)21-7-20-11)3-9(6-12(15)16)14(17)19-2/h4-5,9H,3,6-7H2,1-2H3,(H,15,16)
InChIKey RVQVGCFGFOOLMA-UHFFFAOYSA-N
Molecular Weight 296.275 g/mol
SMILES C12=C(C(=CC(=C2)CC(CC(O)=O)C(OC)=O)OC)OCO1