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Fumaric acid, 2-isopropylphenyl naphth-2-ylmethyl ester
SpectraBase Compound ID 2ge5bD3kgXS
InChI InChI=1S/C24H22O4/c1-17(2)21-9-5-6-10-22(21)28-24(26)14-13-23(25)27-16-18-11-12-19-7-3-4-8-20(19)15-18/h3-15,17H,16H2,1-2H3/b14-13+
InChIKey UDGUBLBQFRVFND-BUHFOSPRSA-N
Mol Weight 374.44 g/mol
Molecular Formula C24H22O4
Exact Mass 374.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIHCEFtzATv
Name Fumaric acid, 2-isopropylphenyl naphth-2-ylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.151809184 u
Formula C24H22O4
InChI InChI=1S/C24H22O4/c1-17(2)21-9-5-6-10-22(21)28-24(26)14-13-23(25)27-16-18-11-12-19-7-3-4-8-20(19)15-18/h3-15,17H,16H2,1-2H3/b14-13+
InChIKey UDGUBLBQFRVFND-BUHFOSPRSA-N
Molecular Weight 374.436 g/mol
SMILES C(\C=C\C(OCC1=CC2=C(C=CC=C2)C=C1)=O)(OC1=C(C=CC=C1)C(C)C)=O