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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-ethylhexyl 2-chloro-5-methylphenyl ester
SpectraBase Compound ID ECF3ieNMRZp
InChI InChI=1S/C20H29ClO4/c1-4-6-8-16(5-2)14-24-19(22)9-7-10-20(23)25-18-13-15(3)11-12-17(18)21/h11-13,16H,4-10,14H2,1-3H3
InChIKey KZGQWIDFWVXMNS-UHFFFAOYSA-N
Mol Weight 368.9 g/mol
Molecular Formula C20H29ClO4
Exact Mass 368.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLJNaFWSalE
Name Glutaric acid, 2-ethylhexyl 2-chloro-5-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.175437110 u
Formula C20H29ClO4
InChI InChI=1S/C20H29ClO4/c1-4-6-8-16(5-2)14-24-19(22)9-7-10-20(23)25-18-13-15(3)11-12-17(18)21/h11-13,16H,4-10,14H2,1-3H3
InChIKey KZGQWIDFWVXMNS-UHFFFAOYSA-N
Molecular Weight 368.901 g/mol
SMILES C(CCC(OCC(CCCC)CC)=O)C(OC1=CC(C)=CC=C1Cl)=O