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o-[4-Bromo-2-[(3-bromophenyl)-carbamoyl]-phenyl]-diethyl-phosphate

View entire compound with spectra: 2 NMR

o-[4-Bromo-2-[(3-bromophenyl)-carbamoyl]-phenyl]-diethyl-phosphate
SpectraBase Compound ID 3QTQtvOTdRA
InChI InChI=1S/C17H18Br2NO4PS/c1-3-22-25(26,23-4-2)24-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey KTXQTTVFHFPUAY-UHFFFAOYSA-N
Mol Weight 523.18 g/mol
Molecular Formula C17H18Br2NO4PS
Exact Mass 520.906092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsIYdFdVoQS
Name o-[4-Bromo-2-[(3-bromophenyl)-carbamoyl]-phenyl]-diethyl-phosphate
Comments Computed using HOSE algorithm
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Exact Mass 520.906092232 u
Formula C17H18Br2NO4PS
InChI InChI=1S/C17H18Br2NO4PS/c1-3-22-25(26,23-4-2)24-16-9-8-13(19)11-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey KTXQTTVFHFPUAY-UHFFFAOYSA-N
Molecular Weight 523.176 g/mol
SMILES C1(Br)=CC(=C(OP(=S)(OCC)OCC)C=C1)C(=O)NC1=CC(=CC=C1)Br