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Fumaric acid, 2-chloro-5-methylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-chloro-5-methylphenyl dodecyl ester
SpectraBase Compound ID Jf3yPZuKY4o
InChI InChI=1S/C23H33ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-27-22(25)15-16-23(26)28-21-18-19(2)13-14-20(21)24/h13-16,18H,3-12,17H2,1-2H3/b16-15+
InChIKey PKAHTTPOKHAOIZ-FOCLMDBBSA-N
Mol Weight 409.0 g/mol
Molecular Formula C23H33ClO4
Exact Mass 408.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqypJMNIgvb
Name Fumaric acid, 2-chloro-5-methylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.206737239 u
Formula C23H33ClO4
InChI InChI=1S/C23H33ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-27-22(25)15-16-23(26)28-21-18-19(2)13-14-20(21)24/h13-16,18H,3-12,17H2,1-2H3/b16-15+
InChIKey PKAHTTPOKHAOIZ-FOCLMDBBSA-N
Molecular Weight 408.966 g/mol
SMILES C(OC1=CC(C)=CC=C1Cl)(\C=C\C(OCCCCCCCCCCCC)=O)=O