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2-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID AahRrvvuTmP
InChI InChI=1S/C18H29BO3/c1-14(19-21-17(2,3)18(4,5)22-19)8-7-9-15-10-12-16(20-6)13-11-15/h10-14H,7-9H2,1-6H3/t14-/m0/s1
InChIKey VSVADVSCOWQTAT-AWEZNQCLSA-N
Mol Weight 304.2 g/mol
Molecular Formula C18H29BO3
Exact Mass 304.220975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16uzPIkuunm
Name 2-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Appearance Colorless oil
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Exact Mass 304.220974961 u
Formula C18H29BO3
InChI InChI=1S/C18H29BO3/c1-14(19-21-17(2,3)18(4,5)22-19)8-7-9-15-10-12-16(20-6)13-11-15/h10-14H,7-9H2,1-6H3/t14-/m0/s1
InChIKey VSVADVSCOWQTAT-AWEZNQCLSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201800792
Optical Rotation [a]D23 = 1.5 (c = 0.42, CHCl3)
Quality 88
Reported Formula C18H29O3B
SMILES C([C@](C)(B1OC(C(O1)(C)C)(C)C)[H])CCC1=CC=C(C=C1)OC
SPLASH splash10-0uk9-0964000000-58476bb851d3998e65fc
Source of Spectrum ACI-57-SM46-R-10b (DOI: 10.1002/anie.201800792)
Wiley ID 1890736