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Fumaric acid, 2,5-dimethylphenyl dodecyl ester

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Fumaric acid, 2,5-dimethylphenyl dodecyl ester
SpectraBase Compound ID BgeguFTR0Bg
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)16-17-24(26)28-22-19-20(2)14-15-21(22)3/h14-17,19H,4-13,18H2,1-3H3/b17-16+
InChIKey CLFXHWZAOJRJGH-WUKNDPDISA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2scYPvrVgjz
Name Fumaric acid, 2,5-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)16-17-24(26)28-22-19-20(2)14-15-21(22)3/h14-17,19H,4-13,18H2,1-3H3/b17-16+
InChIKey CLFXHWZAOJRJGH-WUKNDPDISA-N
Molecular Weight 388.548 g/mol
SMILES C(\C=C\C(OC1=C(C=CC(=C1)C)C)=O)(OCCCCCCCCCCCC)=O