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Glutaric acid, 4-chloro-3-methylphenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-chloro-3-methylphenyl 2-ethylhexyl ester
SpectraBase Compound ID PLTbu4F3G3
InChI InChI=1S/C20H29ClO4/c1-4-6-8-16(5-2)14-24-19(22)9-7-10-20(23)25-17-11-12-18(21)15(3)13-17/h11-13,16H,4-10,14H2,1-3H3
InChIKey JXIYSOJJFJQRPS-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 D7NNIND3moF
Name Glutaric acid, 4-chloro-3-methylphenyl 2-ethylhexyl 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)25-17-11-12-18(21)15(3)13-17/h11-13,16H,4-10,14H2,1-3H3
InChIKey JXIYSOJJFJQRPS-UHFFFAOYSA-N
Molecular Weight 368.901 g/mol
SMILES C(CCC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC(CC)CCCC)=O