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Glutaric acid, 3-chlorophenyl 2-propylphenyl ester

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Glutaric acid, 3-chlorophenyl 2-propylphenyl ester
SpectraBase Compound ID KF9MyMzW2na
InChI InChI=1S/C20H21ClO4/c1-2-7-15-8-3-4-11-18(15)25-20(23)13-6-12-19(22)24-17-10-5-9-16(21)14-17/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKey KRXUMCAMGSZAPH-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAP2iegLvdR
Name Glutaric acid, 3-chlorophenyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.112836852 u
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-2-7-15-8-3-4-11-18(15)25-20(23)13-6-12-19(22)24-17-10-5-9-16(21)14-17/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKey KRXUMCAMGSZAPH-UHFFFAOYSA-N
Molecular Weight 360.837 g/mol
SMILES C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC=1C(CCC)=CC=CC1)=O