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Succinic acid, 2,4,6-trichlorophenyl 2-naphthylmethyl ester
SpectraBase Compound ID 9bG7o5xIFCU
InChI InChI=1S/C21H15Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9-11H,7-8,12H2
InChIKey HCBQACBFVMQBOE-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 FIRFJtsG16U
Name Succinic acid, 2,4,6-trichlorophenyl 2-naphthylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.003592059 u
Formula C21H15Cl3O4
InChI InChI=1S/C21H15Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9-11H,7-8,12H2
InChIKey HCBQACBFVMQBOE-UHFFFAOYSA-N
Molecular Weight 437.706 g/mol
SMILES C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC=1C=C2C=CC=CC2=CC1)=O