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1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
SpectraBase Compound ID LOMVZ7KGDrY
InChI InChI=1S/C27H44B2O6/c1-11-12-13-18-27(28-32-23(2,3)24(4,5)33-28,29-34-25(6,7)26(8,9)35-29)19-22(30)20-14-16-21(31-10)17-15-20/h14-17H,11-13,18-19H2,1-10H3
InChIKey RBRUIAOQMMYVSF-UHFFFAOYSA-N
Mol Weight 486.3 g/mol
Molecular Formula C27H44B2O6
Exact Mass 486.332399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWPaj4ymlfz
Name 1-(4-methoxyphenyl)-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 486.332399471 u
Formula C27H44B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C27H44B2O6/c1-11-12-13-18-27(28-32-23(2,3)24(4,5)33-28,29-34-25(6,7)26(8,9)35-29)19-22(30)20-14-16-21(31-10)17-15-20/h14-17H,11-13,18-19H2,1-10H3
InChIKey RBRUIAOQMMYVSF-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 486.263 g/mol
Quality 10
Reported Formula C27H44B2O6
SMILES CCCCCC(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-0udi-0911000000-4595913dca2ba6a13160
Source of Spectrum QE-29-SM4-3aa (DOI: 10.1002/chem.202301826)
Wiley ID 1912022