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Phthalic acid, 2-(4-chlorophenoxy)ethyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenoxy)ethyl heptyl ester
SpectraBase Compound ID 8bCBVpyxbnD
InChI InChI=1S/C23H27ClO5/c1-2-3-4-5-10-15-28-22(25)18-11-6-7-12-19(18)23(26)29-17-16-27-21-14-9-8-13-20(21)24/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey ZIRLTJWGQJBHFE-UHFFFAOYSA-N
Mol Weight 418.92 g/mol
Molecular Formula C23H27ClO5
Exact Mass 418.154702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lC61E4M7kR
Name Phthalic acid, 2-(4-chlorophenoxy)ethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.154701664 u
Formula C23H27ClO5
InChI InChI=1S/C23H27ClO5/c1-2-3-4-5-10-15-28-22(25)18-11-6-7-12-19(18)23(26)29-17-16-27-21-14-9-8-13-20(21)24/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey ZIRLTJWGQJBHFE-UHFFFAOYSA-N
Molecular Weight 418.917 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCCCCCC)=O