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5-Bromo-3-cyano-4,6-dimethyl-1,2-dihydropyridine-2-yl-diisopropyl-phosphate

View entire compound with spectra: 2 NMR

5-Bromo-3-cyano-4,6-dimethyl-1,2-dihydropyridine-2-yl-diisopropyl-phosphate
SpectraBase Compound ID JtulWnkv1f8
InChI InChI=1S/C14H22BrN2O4P/c1-8(2)19-22(18,20-9(3)4)21-14-12(7-16)10(5)13(15)11(6)17-14/h8-9,14,17H,1-6H3
InChIKey ANBTZOSFKSYATI-UHFFFAOYSA-N
Mol Weight 393.22 g/mol
Molecular Formula C14H22BrN2O4P
Exact Mass 392.050057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDzAYUrUOEc
Name 5-Bromo-3-cyano-4,6-dimethyl-1,2-dihydropyridine-2-yl-diisopropyl-phosphate
Comments Computed using HOSE algorithm
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Exact Mass 392.050057190 u
Formula C14H22BrN2O4P
InChI InChI=1S/C14H22BrN2O4P/c1-8(2)19-22(18,20-9(3)4)21-14-12(7-16)10(5)13(15)11(6)17-14/h8-9,14,17H,1-6H3
InChIKey ANBTZOSFKSYATI-UHFFFAOYSA-N
Molecular Weight 393.218 g/mol
SMILES C(#N)C=1C(OP(=O)(OC(C)C)OC(C)C)NC(=C(C1C)Br)C