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

View entire compound with spectra: 1 NMR

Succinic acid, 2-chloro-5-methylphenyl tridecyl ester
SpectraBase Compound ID Fm23a5qx6NW
InChI InChI=1S/C24H37ClO4/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/h14-15,19H,3-13,16-18H2,1-2H3
InChIKey JXKMBMXSXLRZGR-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eh5HUCe9pGZ
Name Succinic acid, 2-chloro-5-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/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/h14-15,19H,3-13,16-18H2,1-2H3
InChIKey JXKMBMXSXLRZGR-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCCCCCCCCCCC)=O)=O