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3-Carbethoxy-4-(2,5-dimethoxyphenyl)-4-methyl-3-butenoic acid
SpectraBase Compound ID K8uW6ppDm7h
InChI InChI=1S/C16H20O6/c1-5-22-16(19)13(9-15(17)18)10(2)12-8-11(20-3)6-7-14(12)21-4/h6-8H,5,9H2,1-4H3,(H,17,18)/b13-10-
InChIKey NXGFILRYKFFRSF-RAXLEYEMSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvVf7Ebc4d9
Name 3-Carbethoxy-4-(2,5-dimethoxyphenyl)-4-methyl-3-butenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.125988358 u
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-5-22-16(19)13(9-15(17)18)10(2)12-8-11(20-3)6-7-14(12)21-4/h6-8H,5,9H2,1-4H3,(H,17,18)/b13-10-
InChIKey NXGFILRYKFFRSF-RAXLEYEMSA-N
Molecular Weight 308.330 g/mol
SMILES C=1(\C(=C/(C(=O)OCC)CC(=O)O)C)C(=CC=C(C1)OC)OC