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Diethyl alpha-(ortho-bromophenylamino)-ortho-hydroxybenzylphosphonate

View entire compound with spectra: 2 NMR

Diethyl alpha-(ortho-bromophenylamino)-ortho-hydroxybenzylphosphonate
SpectraBase Compound ID DeTuUJIdNFg
InChI InChI=1S/C17H21BrNO4P/c1-3-22-24(21,23-4-2)17(13-9-5-8-12-16(13)20)19-15-11-7-6-10-14(15)18/h5-12,17,19-20H,3-4H2,1-2H3
InChIKey JUKMYKPLERLHRV-UHFFFAOYSA-N
Mol Weight 414.24 g/mol
Molecular Formula C17H21BrNO4P
Exact Mass 413.039158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1n9lQWH22EZ
Name Diethyl alpha-(ortho-bromophenylamino)-ortho-hydroxybenzylphosphonate
Comments Computed using HOSE algorithm
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Exact Mass 413.039158154 u
Formula C17H21BrNO4P
InChI InChI=1S/C17H21BrNO4P/c1-3-22-24(21,23-4-2)17(13-9-5-8-12-16(13)20)19-15-11-7-6-10-14(15)18/h5-12,17,19-20H,3-4H2,1-2H3
InChIKey JUKMYKPLERLHRV-UHFFFAOYSA-N
Molecular Weight 414.236 g/mol
SMILES Oc1ccccc1C(P(=O)(OCC)OCC)Nc1c(cccc1)Br