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Phthalic acid, butyl 2,5-dichlorobenzyl ester

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Phthalic acid, butyl 2,5-dichlorobenzyl ester
SpectraBase Compound ID 8dIAOrpJ4De
InChI InChI=1S/C19H18Cl2O4/c1-2-3-10-24-18(22)15-6-4-5-7-16(15)19(23)25-12-13-11-14(20)8-9-17(13)21/h4-9,11H,2-3,10,12H2,1H3
InChIKey WVFUKHXYNPUEGZ-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAlnEQSCzOQ
Name Phthalic acid, butyl 2,5-dichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-2-3-10-24-18(22)15-6-4-5-7-16(15)19(23)25-12-13-11-14(20)8-9-17(13)21/h4-9,11H,2-3,10,12H2,1H3
InChIKey WVFUKHXYNPUEGZ-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=CC(=C1)Cl)Cl)C(=O)OCCCC