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Phthalic acid, 3-chlorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorophenyl isohexyl ester
SpectraBase Compound ID 6QxtmmKu0Cj
InChI InChI=1S/C20H21ClO4/c1-14(2)7-6-12-24-19(22)17-10-3-4-11-18(17)20(23)25-16-9-5-8-15(21)13-16/h3-5,8-11,13-14H,6-7,12H2,1-2H3
InChIKey SZNJTQKPADSYDS-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25vh0UsZvk5
Name Phthalic acid, 3-chlorophenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.112836852 u
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-14(2)7-6-12-24-19(22)17-10-3-4-11-18(17)20(23)25-16-9-5-8-15(21)13-16/h3-5,8-11,13-14H,6-7,12H2,1-2H3
InChIKey SZNJTQKPADSYDS-UHFFFAOYSA-N
Molecular Weight 360.837 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCC(C)C)(OC1=CC=CC(=C1)Cl)=O