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2-[.alpha.-(4-Bromoanilino)-4-hydroxybenzyl]-1,3,2-dioxaphosphorinane

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-[.alpha.-(4-Bromoanilino)-4-hydroxybenzyl]-1,3,2-dioxaphosphorinane
SpectraBase Compound ID DqMrRWdQrUT
InChI InChI=1S/C16H17BrNO4P/c17-13-4-6-14(7-5-13)18-16(12-2-8-15(19)9-3-12)23(20)21-10-1-11-22-23/h2-9,16,18-19H,1,10-11H2
InChIKey FFMJOCZXAWBDCB-UHFFFAOYSA-N
Mol Weight 398.19 g/mol
Molecular Formula C16H17BrNO4P
Exact Mass 397.007858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2hSJ801i19
Name 2-[.alpha.-(4-Bromoanilino)-4-hydroxybenzyl]-1,3,2-dioxaphosphorinane
Comments Computed using HOSE algorithm
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Exact Mass 397.007858025 u
Formula C16H17BrNO4P
InChI InChI=1S/C16H17BrNO4P/c17-13-4-6-14(7-5-13)18-16(12-2-8-15(19)9-3-12)23(20)21-10-1-11-22-23/h2-9,16,18-19H,1,10-11H2
InChIKey FFMJOCZXAWBDCB-UHFFFAOYSA-N
Molecular Weight 398.193 g/mol
SMILES C(NC1=CC=C(C=C1)Br)(P1(OCCCO1)=O)C1=CC=C(C=C1)O