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

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Phthalic acid, butyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID 7YPZr0UpnjC
InChI InChI=1S/C19H17Cl3O4/c1-2-3-8-25-18(23)13-6-4-5-7-14(13)19(24)26-11-15-16(21)9-12(20)10-17(15)22/h4-7,9-10H,2-3,8,11H2,1H3
InChIKey PXLJXKSDJREDGY-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 FygW67a5Xnw
Name Phthalic acid, butyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.019242123 u
Formula C19H17Cl3O4
InChI InChI=1S/C19H17Cl3O4/c1-2-3-8-25-18(23)13-6-4-5-7-14(13)19(24)26-11-15-16(21)9-12(20)10-17(15)22/h4-7,9-10H,2-3,8,11H2,1H3
InChIKey PXLJXKSDJREDGY-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)OCCCC