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3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(p-tolyl)octan-1-one
SpectraBase Compound ID 3xCXq7bAWT0
InChI InChI=1S/C27H44B2O5/c1-11-12-13-18-27(28-31-23(3,4)24(5,6)32-28,29-33-25(7,8)26(9,10)34-29)19-22(30)21-16-14-20(2)15-17-21/h14-17H,11-13,18-19H2,1-10H3
InChIKey GQGASVYTFMVINR-UHFFFAOYSA-N
Mol Weight 470.3 g/mol
Molecular Formula C27H44B2O5
Exact Mass 470.337485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VRHkX3klOM
Name 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(p-tolyl)octan-1-one
Appearance White sticky oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.337484852 u
Formula C27H44B2O5
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C27H44B2O5/c1-11-12-13-18-27(28-31-23(3,4)24(5,6)32-28,29-33-25(7,8)26(9,10)34-29)19-22(30)21-16-14-20(2)15-17-21/h14-17H,11-13,18-19H2,1-10H3
InChIKey GQGASVYTFMVINR-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 470.264 g/mol
Quality 40
Reported Formula C26H42B2O5
SMILES CCCCCC(CC(C=1C=CC(C)=CC1)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-001j-9051000000-7cb9a466cf2ae4256c6d
Source of Spectrum QE-29-SM2-3ac (DOI: 10.1002/chem.202301826)
Wiley ID 1912024