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Phthalic acid, isobutyl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID Fju1aNBInqb
InChI InChI=1S/C19H17Cl3O4/c1-11(2)9-25-18(23)13-5-3-4-6-14(13)19(24)26-10-15-16(21)7-12(20)8-17(15)22/h3-8,11H,9-10H2,1-2H3
InChIKey SJRTYIOATZJLJK-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C19H17Cl3O4
Exact Mass 414.019242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Bd2vwwvx8M
Name Phthalic acid, isobutyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.019242123 u
Formula C19H17Cl3O4
InChI InChI=1S/C19H17Cl3O4/c1-11(2)9-25-18(23)13-5-3-4-6-14(13)19(24)26-10-15-16(21)7-12(20)8-17(15)22/h3-8,11H,9-10H2,1-2H3
InChIKey SJRTYIOATZJLJK-UHFFFAOYSA-N
Molecular Weight 415.700 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OCC(C)C