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2-((4R,5R)-5-(4-Chlorophenyl)octan-4-yl)-4,4,5,5-tetramethyl- 1,3,2-dioxaborolane
SpectraBase Compound ID DLLuu3xTnWl
InChI InChI=1S/C20H32BClO2/c1-7-9-17(15-11-13-16(22)14-12-15)18(10-8-2)21-23-19(3,4)20(5,6)24-21/h11-14,17-18H,7-10H2,1-6H3/t17-,18+/m0/s1
InChIKey HHGCSOMCCYTTIC-ZWKOTPCHSA-N
Mol Weight 350.7 g/mol
Molecular Formula C20H32BClO2
Exact Mass 350.218388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EysJCbF6Itc
Name 2-((4R,5R)-5-(4-Chlorophenyl)octan-4-yl)-4,4,5,5-tetramethyl- 1,3,2-dioxaborolane
Appearance Colorless solid
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Formula C20H32BClO2
InChI InChI=1S/C20H32BClO2/c1-7-9-17(15-11-13-16(22)14-12-15)18(10-8-2)21-23-19(3,4)20(5,6)24-21/h11-14,17-18H,7-10H2,1-6H3/t17-,18+/m0/s1
InChIKey HHGCSOMCCYTTIC-ZWKOTPCHSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI pos
Literature Reference DOI 10.1002/anie.201810327
Molecular Weight 350.737 g/mol
SMILES c1(Cl)ccc(cc1)[C@@]([C@](B1OC(C(O1)(C)C)(C)C)(CCC)[H])(CCC)[H]
SPLASH splash10-004i-1910000000-8267a4d3bdbb94bb5a72
Sample Comments dr > 99:1
Source of Spectrum ACI-58-SM11-11-2
Thin-Layer Chromatography Rf = 0.33 (hexane/EtOAc 99:1, UV, KMnO4, PAA)
Wiley ID 1840492