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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenoxy)ethyl isobutyl ester
SpectraBase Compound ID G8Kxwv6ufCu
InChI InChI=1S/C20H21ClO5/c1-14(2)13-26-20(23)16-8-4-3-7-15(16)19(22)25-12-11-24-18-10-6-5-9-17(18)21/h3-10,14H,11-13H2,1-2H3
InChIKey AUXZBRRFVVUULA-UHFFFAOYSA-N
Mol Weight 376.84 g/mol
Molecular Formula C20H21ClO5
Exact Mass 376.107751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AG7Nd83dPBv
Name Phthalic acid, 2-(4-chlorophenoxy)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.107751471 u
Formula C20H21ClO5
InChI InChI=1S/C20H21ClO5/c1-14(2)13-26-20(23)16-8-4-3-7-15(16)19(22)25-12-11-24-18-10-6-5-9-17(18)21/h3-10,14H,11-13H2,1-2H3
InChIKey AUXZBRRFVVUULA-UHFFFAOYSA-N
Molecular Weight 376.836 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCC(C)C)=O