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Glutaric acid, 2-ethylhexyl 3-chlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-ethylhexyl 3-chlorophenyl ester
SpectraBase Compound ID 5H2Nra9WzWu
InChI InChI=1S/C19H27ClO4/c1-3-5-8-15(4-2)14-23-18(21)11-7-12-19(22)24-17-10-6-9-16(20)13-17/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3
InChIKey SCPPONVAYIPLDJ-UHFFFAOYSA-N
Mol Weight 354.87 g/mol
Molecular Formula C19H27ClO4
Exact Mass 354.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfFPETiSLgM
Name Glutaric acid, 2-ethylhexyl 3-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.159787045 u
Formula C19H27ClO4
InChI InChI=1S/C19H27ClO4/c1-3-5-8-15(4-2)14-23-18(21)11-7-12-19(22)24-17-10-6-9-16(20)13-17/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3
InChIKey SCPPONVAYIPLDJ-UHFFFAOYSA-N
Molecular Weight 354.874 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC1=CC=CC(=C1)Cl)=O