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1-phenyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
SpectraBase Compound ID 1pYUhxRZkxv
InChI InChI=1S/C26H42B2O5/c1-10-11-15-18-26(19-21(29)20-16-13-12-14-17-20,27-30-22(2,3)23(4,5)31-27)28-32-24(6,7)25(8,9)33-28/h12-14,16-17H,10-11,15,18-19H2,1-9H3
InChIKey NARDPSKDVDNXNR-UHFFFAOYSA-N
Mol Weight 456.2 g/mol
Molecular Formula C26H42B2O5
Exact Mass 456.321835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JZbFcmIJwV
Name 1-phenyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
Appearance White sticky oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.321834787 u
Formula C26H42B2O5
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C26H42B2O5/c1-10-11-15-18-26(19-21(29)20-16-13-12-14-17-20,27-30-22(2,3)23(4,5)31-27)28-32-24(6,7)25(8,9)33-28/h12-14,16-17H,10-11,15,18-19H2,1-9H3
InChIKey NARDPSKDVDNXNR-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 456.237 g/mol
Quality 34
Reported Formula C26H42B2O5
SMILES CCCCCC(CC(C1=CC=CC=C1)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-001i-9042000000-ceeb79bd409f2f3db101
Source of Spectrum QE-29-SM1-3ab (DOI: 10.1002/chem.202301826)
Wiley ID 1912023