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(S)-2-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID AuFnsb87SoY
InChI InChI=1S/C16H23BO4/c1-11(17-20-15(2,3)16(4,5)21-17)8-12-6-7-13-14(9-12)19-10-18-13/h6-7,9,11H,8,10H2,1-5H3/t11-/m0/s1
InChIKey JPOHDBIAHMWHRA-NSHDSACASA-N
Mol Weight 290.2 g/mol
Molecular Formula C16H23BO4
Exact Mass 290.168939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGGO57LkV9x
Name (S)-2-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Appearance Colorless oil
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Exact Mass 290.168939387 u
Formula C16H23BO4
InChI InChI=1S/C16H23BO4/c1-11(17-20-15(2,3)16(4,5)21-17)8-12-6-7-13-14(9-12)19-10-18-13/h6-7,9,11H,8,10H2,1-5H3/t11-/m0/s1
InChIKey JPOHDBIAHMWHRA-NSHDSACASA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214377
Optical Rotation [a]D20 = +3.3 (c = 0.69, CHCl3)
Quality 66
Reported Formula C16H23BO4
SMILES C1=CC(=CC=2OCOC12)C[C@](C)(B1OC(C(O1)(C)C)(C)C)[H]
SPLASH splash10-000i-0910000000-ae1c1d32cd57a6478de1
Sample Comments 91% ee
Source of Spectrum ACI-62-SM54-(S)-4e (DOI: 10.1002/anie.202214377)
Wiley ID 1908238