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Phthalic acid, butyl 2,3,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID 1QNvgG9HcAa
InChI InChI=1S/C18H15Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-15-10-11(19)9-14(20)16(15)21/h4-7,9-10H,2-3,8H2,1H3
InChIKey QZSMGODCNNZSQB-UHFFFAOYSA-N
Mol Weight 401.67 g/mol
Molecular Formula C18H15Cl3O4
Exact Mass 400.003592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5CHx02USqP
Name Phthalic acid, butyl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.003592059 u
Formula C18H15Cl3O4
InChI InChI=1S/C18H15Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-15-10-11(19)9-14(20)16(15)21/h4-7,9-10H,2-3,8H2,1H3
InChIKey QZSMGODCNNZSQB-UHFFFAOYSA-N
Molecular Weight 401.673 g/mol
SMILES C1(=CC=CC=C1C(OCCCC)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O