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Glutaric acid, 2-(4-chlorophenyl)ethyl 2-methylhex-3-yl ester
SpectraBase Compound ID HyIcsE0e8QL
InChI InChI=1S/C20H29ClO4/c1-4-6-18(15(2)3)25-20(23)8-5-7-19(22)24-14-13-16-9-11-17(21)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKey SKFIRDZVAVGCOA-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 I1oZeufN0tu
Name Glutaric acid, 2-(4-chlorophenyl)ethyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.175437110 u
Formula C20H29ClO4
InChI InChI=1S/C20H29ClO4/c1-4-6-18(15(2)3)25-20(23)8-5-7-19(22)24-14-13-16-9-11-17(21)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKey SKFIRDZVAVGCOA-UHFFFAOYSA-N
Molecular Weight 368.901 g/mol
SMILES C(OCCC1=CC=C(C=C1)Cl)(=O)CCCC(OC(CCC)C(C)C)=O