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Glutaric acid, 2,3-dichlorophenyl phenethyl ester
SpectraBase Compound ID 7zkBNi34dkL
InChI InChI=1S/C19H18Cl2O4/c20-15-8-4-9-16(19(15)21)25-18(23)11-5-10-17(22)24-13-12-14-6-2-1-3-7-14/h1-4,6-9H,5,10-13H2
InChIKey NKCUMQKHGOXIBQ-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PvC9ZS9b2I
Name Glutaric acid, 2,3-dichlorophenyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c20-15-8-4-9-16(19(15)21)25-18(23)11-5-10-17(22)24-13-12-14-6-2-1-3-7-14/h1-4,6-9H,5,10-13H2
InChIKey NKCUMQKHGOXIBQ-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCCC1=CC=CC=C1)=O