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Phthalic acid, 4-chlorophenyl 6-ethyloct-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chlorophenyl 6-ethyloct-3-yl ester
SpectraBase Compound ID AG3nFZI1pQi
InChI InChI=1S/C24H29ClO4/c1-4-17(5-2)11-14-19(6-3)28-23(26)21-9-7-8-10-22(21)24(27)29-20-15-12-18(25)13-16-20/h7-10,12-13,15-17,19H,4-6,11,14H2,1-3H3
InChIKey GTDVPNUDTGHWDT-UHFFFAOYSA-N
Mol Weight 416.95 g/mol
Molecular Formula C24H29ClO4
Exact Mass 416.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkVKMzBcIV8
Name Phthalic acid, 4-chlorophenyl 6-ethyloct-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.175437110 u
Formula C24H29ClO4
InChI InChI=1S/C24H29ClO4/c1-4-17(5-2)11-14-19(6-3)28-23(26)21-9-7-8-10-22(21)24(27)29-20-15-12-18(25)13-16-20/h7-10,12-13,15-17,19H,4-6,11,14H2,1-3H3
InChIKey GTDVPNUDTGHWDT-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C(C(OC(=O)C1=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)CCC(CC)CC)C