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(4aS,9bR)-8-Iodo-2,2,4,4-tetramethyl-4a,9b-dihydro-4H-[1,3]dioxino[5,4-b]benzofuran-7-ol
SpectraBase Compound ID 8EnxbpghkWN
InChI InChI=1S/C14H17IO4/c1-13(2)12-11(18-14(3,4)19-13)7-5-8(15)9(16)6-10(7)17-12/h5-6,11-12,16H,1-4H3/t11-,12+/m1/s1
InChIKey LHXOBEVZEJKOPV-NEPJUHHUSA-N
Mol Weight 376.19 g/mol
Molecular Formula C14H17IO4
Exact Mass 376.017154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN9qSld3PLN
Name (4aS,9bR)-8-Iodo-2,2,4,4-tetramethyl-4a,9b-dihydro-4H-[1,3]dioxino[5,4-b]benzofuran-7-ol
Appearance Yellow oil
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Formula C14H17IO4
InChI InChI=1S/C14H17IO4/c1-13(2)12-11(18-14(3,4)19-13)7-5-8(15)9(16)6-10(7)17-12/h5-6,11-12,16H,1-4H3/t11-,12+/m1/s1
InChIKey LHXOBEVZEJKOPV-NEPJUHHUSA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.123
Molecular Weight 376.190 g/mol
Optical Rotation [a]D23 = 57.7 (c = 1.7, CHCl3)
SMILES Oc1c(cc2c(c1)O[C@]1([C@@]2(OC(OC1(C)C)(C)C)[H])[H])I
SPLASH splash10-03di-1196000000-5db94bff198dc2424313
Source of Spectrum BJO-8-SM9-17
Thin-Layer Chromatography Rf = 0.42 (pentane/diethylether, 1:1)
Wiley ID 1864889