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Phthalic acid, butyl 3,4,5-trichlorophenyl ester

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Phthalic acid, butyl 3,4,5-trichlorophenyl ester
SpectraBase Compound ID 6BtcSsgiHBZ
InChI InChI=1S/C18H15Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-11-9-14(19)16(21)15(20)10-11/h4-7,9-10H,2-3,8H2,1H3
InChIKey DHLVFOXDYPMTMO-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 DXbKskqHWgV
Name Phthalic acid, butyl 3,4,5-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)25-11-9-14(19)16(21)15(20)10-11/h4-7,9-10H,2-3,8H2,1H3
InChIKey DHLVFOXDYPMTMO-UHFFFAOYSA-N
Molecular Weight 401.673 g/mol
SMILES C1(=CC=CC=C1C(OCCCC)=O)C(OC1=CC(=C(C(=C1)Cl)Cl)Cl)=O