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(R,S)-(Pl,3'l,4'l)-3-tert-Butyl-6,6-dimethyl-2-(3',4'dimethyl-2'-oxo-5'-hexenyl)-2-oxo-1,3,2-oxazaphosphorinane
SpectraBase Compound ID IEZAYDzpaEY
InChI InChI=1S/C17H32NO3P/c1-9-13(2)14(3)15(19)12-22(20)18(16(4,5)6)11-10-17(7,8)21-22/h9,13-14H,1,10-12H2,2-8H3/t13-,14-,22?/m1/s1
InChIKey HSRSRTGDEAPCGR-PMBFKINQSA-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 A9Ltq4BcwX
Name (R,S)-(Pl,3'l,4'l)-3-tert-Butyl-6,6-dimethyl-2-(3',4'dimethyl-2'-oxo-5'-hexenyl)-2-oxo-1,3,2-oxazaphosphorinane
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Exact Mass 329.211980889 u
Formula C17H32NO3P
InChI InChI=1S/C17H32NO3P/c1-9-13(2)14(3)15(19)12-22(20)18(16(4,5)6)11-10-17(7,8)21-22/h9,13-14H,1,10-12H2,2-8H3/t13-,14-,22?/m1/s1
InChIKey HSRSRTGDEAPCGR-PMBFKINQSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo301919e
Molecular Weight 329.421 g/mol
Quality 188
SMILES C1(OP(N(CC1)C(C)(C)C)(=O)CC([C@@]([C@@](C=C)(C)[H])(C)[H])=O)(C)C
SPLASH splash10-0229-5298000000-17f2c7279880b1b56086
Source of Spectrum JOC-78-78-(u)-12ab (DOI: 10.1021/jo301919e)
Thin-Layer Chromatography 0.40 (benzene/acetone, 2:1)
Wiley ID 1911603