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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-5-methylphenyl tridecyl ester
SpectraBase Compound ID 8HiAuYI7xLM
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)15-14-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-16,19H2,1-2H3
InChIKey JXAGNXNYUCGNTG-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7eQCBti2A9
Name Glutaric acid, 2-chloro-5-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)15-14-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-16,19H2,1-2H3
InChIKey JXAGNXNYUCGNTG-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C1(OC(=O)CCCC(=O)OCCCCCCCCCCCCC)=CC(C)=CC=C1Cl