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

View entire compound with spectra: 1 NMR

Fumaric acid, 2-chloro-5-methylphenyl tridecyl ester
SpectraBase Compound ID DWdRIruGZIB
InChI InChI=1S/C24H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-18-28-23(26)16-17-24(27)29-22-19-20(2)14-15-21(22)25/h14-17,19H,3-13,18H2,1-2H3/b17-16+
InChIKey XEZKRMZPMBNLSV-WUKNDPDISA-N
Mol Weight 423.0 g/mol
Molecular Formula C24H35ClO4
Exact Mass 422.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GD9K4YjiSyw
Name Fumaric acid, 2-chloro-5-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.222387303 u
Formula C24H35ClO4
InChI InChI=1S/C24H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-18-28-23(26)16-17-24(27)29-22-19-20(2)14-15-21(22)25/h14-17,19H,3-13,18H2,1-2H3/b17-16+
InChIKey XEZKRMZPMBNLSV-WUKNDPDISA-N
Molecular Weight 422.993 g/mol
SMILES C(OC1=CC(C)=CC=C1Cl)(\C=C\C(OCCCCCCCCCCCCC)=O)=O