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Fumaric acid, 2-chlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-chlorophenyl pentadecyl ester
SpectraBase Compound ID GStz8wXMtY9
InChI InChI=1S/C25H37ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-29-24(27)19-20-25(28)30-23-18-15-14-17-22(23)26/h14-15,17-20H,2-13,16,21H2,1H3/b20-19+
InChIKey JFXPCXQPAJAYCU-FMQUCBEESA-N
Mol Weight 437.0 g/mol
Molecular Formula C25H37ClO4
Exact Mass 436.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VgGBSJhHKp
Name Fumaric acid, 2-chlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.238037367 u
Formula C25H37ClO4
InChI InChI=1S/C25H37ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-29-24(27)19-20-25(28)30-23-18-15-14-17-22(23)26/h14-15,17-20H,2-13,16,21H2,1H3/b20-19+
InChIKey JFXPCXQPAJAYCU-FMQUCBEESA-N
Molecular Weight 437.020 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCCCCCCC)=O