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Dichlorophen, o-(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

Dichlorophen, o-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID 4Q8iQuzSSq9
InChI InChI=1S/C21H13Cl2F3O3/c22-14-5-7-18(27)12(10-14)9-13-11-15(23)6-8-19(13)29-20(28)16-3-1-2-4-17(16)21(24,25)26/h1-8,10-11,27H,9H2
InChIKey QXKLLOALYRKGCX-UHFFFAOYSA-N
Mol Weight 441.23 g/mol
Molecular Formula C21H13Cl2F3O3
Exact Mass 440.019384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGaOFbE1aKb
Name Dichlorophen, o-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 440.019384165 u
Formula C21H13Cl2F3O3
InChI InChI=1S/C21H13Cl2F3O3/c22-14-5-7-18(27)12(10-14)9-13-11-15(23)6-8-19(13)29-20(28)16-3-1-2-4-17(16)21(24,25)26/h1-8,10-11,27H,9H2
InChIKey QXKLLOALYRKGCX-UHFFFAOYSA-N
Molecular Weight 441.233 g/mol
SMILES C1=CC=CC(=C1C(=O)OC1=C(CC2=CC(=CC=C2O)Cl)C=C(C=C1)Cl)C(F)(F)F