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(E)-3-tert-Butyl-6,6-dimethyl-2-oxo-[2'-((E)-2-butenyloxy)-1'-butenyl]-1,3,2-oxaza-phosphorinane
SpectraBase Compound ID LYieSmNalge
InChI InChI=1S/C17H32NO3P/c1-8-10-13-20-15(9-2)14-22(19)18(16(3,4)5)12-11-17(6,7)21-22/h8,10,14H,9,11-13H2,1-7H3/b10-8+,15-14+
InChIKey MLNCVEUIWKMTHB-KAXKFVIFSA-N
Mol Weight 329.4 g/mol
Molecular Formula C17H32NO3P
Exact Mass 329.211981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0anmmHsNSV
Name (E)-3-tert-Butyl-6,6-dimethyl-2-oxo-[2'-((E)-2-butenyloxy)-1'-butenyl]-1,3,2-oxaza-phosphorinane
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Exact Mass 329.211980889 u
Formula C17H32NO3P
InChI InChI=1S/C17H32NO3P/c1-8-10-13-20-15(9-2)14-22(19)18(16(3,4)5)12-11-17(6,7)21-22/h8,10,14H,9,11-13H2,1-7H3/b10-8+,15-14+
InChIKey MLNCVEUIWKMTHB-KAXKFVIFSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo301919e
Molecular Weight 329.421 g/mol
Quality 475
SMILES C1(OP(N(CC1)C(C)(C)C)(=O)\C=C/(OC\C=C\C)CC)(C)C
SPLASH splash10-03n9-3961000000-fdfbc7a177840e2d0202
Source of Spectrum JOC-78-76-8ab (DOI: 10.1021/jo301919e)
Thin-Layer Chromatography 0.43 (hexane/acetone, 1:1)
Wiley ID 1911621