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Fumaric acid, 3,4-dimethylphenyl isobutyl ester
SpectraBase Compound ID 7RPRZUqB8v6
InChI InChI=1S/C16H20O4/c1-11(2)10-19-15(17)7-8-16(18)20-14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3/b8-7+
InChIKey DZPVVERJKBSHRA-BQYQJAHWSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J92NXz9XFk2
Name Fumaric acid, 3,4-dimethylphenyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-11(2)10-19-15(17)7-8-16(18)20-14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3/b8-7+
InChIKey DZPVVERJKBSHRA-BQYQJAHWSA-N
SMILES CC(COC(\C=C\C(OC1=CC=C(C)C(C)=C1)=O)=O)C