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Glutaric acid, 2,4,6-trichlorophenyl 1-naphthyl ester
SpectraBase Compound ID 9OgtPXXKyNM
InChI InChI=1S/C21H15Cl3O4/c22-14-11-16(23)21(17(24)12-14)28-20(26)10-4-9-19(25)27-18-8-3-6-13-5-1-2-7-15(13)18/h1-3,5-8,11-12H,4,9-10H2
InChIKey BYSBIQCPWDMNQW-UHFFFAOYSA-N
Mol Weight 437.71 g/mol
Molecular Formula C21H15Cl3O4
Exact Mass 436.003592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CujGtJRil5s
Name Glutaric acid, 2,4,6-trichlorophenyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.003592059 u
Formula C21H15Cl3O4
InChI InChI=1S/C21H15Cl3O4/c22-14-11-16(23)21(17(24)12-14)28-20(26)10-4-9-19(25)27-18-8-3-6-13-5-1-2-7-15(13)18/h1-3,5-8,11-12H,4,9-10H2
InChIKey BYSBIQCPWDMNQW-UHFFFAOYSA-N
Molecular Weight 437.706 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O