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4,4,5,5-tetramethyl-2-((1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)-1,3,2-dioxaborolane
SpectraBase Compound ID KLWFlEorknJ
InChI InChI=1S/C16H29BO2/c1-10-12-8-11(14(12,2)3)9-13(10)17-18-15(4,5)16(6,7)19-17/h10-13H,8-9H2,1-7H3/t10-,11+,12-,13-/m1/s1
InChIKey UPIFCUXSUZSELO-YVECIDJPSA-N
Mol Weight 264.2 g/mol
Molecular Formula C16H29BO2
Exact Mass 264.22606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hAQIVdXSmq
Name 4,4,5,5-tetramethyl-2-((1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)-1,3,2-dioxaborolane
Appearance Colorless oil
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Formula C16H29BO2
InChI InChI=1S/C16H29BO2/c1-10-12-8-11(14(12,2)3)9-13(10)17-18-15(4,5)16(6,7)19-17/h10-13H,8-9H2,1-7H3/t10-,11+,12-,13-/m1/s1
InChIKey UPIFCUXSUZSELO-YVECIDJPSA-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 264.216 g/mol
SMILES CC1(C(OB(O1)[C@]1([C@@]([C@@]2(C([C@](C1)(C2)[H])(C)C)[H])(C)[H])[H])(C)C)C
SPLASH splash10-0f8i-8930000000-1d1ea2502fc3e2d1a0ef
Sample Comments dr > 99:1
Source of Spectrum ACI-58-SM12-12-2
Thin-Layer Chromatography Rf = 0.40 (hexane/EtOAc 98:2, UV, KMnO4, PAA)
Wiley ID 1840502