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1-(4-methoxyphenyl)-4-phenyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
SpectraBase Compound ID IL0lvqxOd1r
InChI InChI=1S/C29H40B2O6/c1-25(2)26(3,4)35-30(34-25)29(19-21-13-11-10-12-14-21,31-36-27(5,6)28(7,8)37-31)20-24(32)22-15-17-23(33-9)18-16-22/h10-18H,19-20H2,1-9H3
InChIKey BESOJTGJQVLRLI-UHFFFAOYSA-N
Mol Weight 506.3 g/mol
Molecular Formula C29H40B2O6
Exact Mass 506.301099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKv4lwPuHG1
Name 1-(4-methoxyphenyl)-4-phenyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
Appearance White foam
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C29H40B2O6/c1-25(2)26(3,4)35-30(34-25)29(19-21-13-11-10-12-14-21,31-36-27(5,6)28(7,8)37-31)20-24(32)22-15-17-23(33-9)18-16-22/h10-18H,19-20H2,1-9H3
InChIKey BESOJTGJQVLRLI-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 506.253 g/mol
Quality 12
Reported Formula C29H40B2O6
SMILES COC1=CC=C(C=C1)C(=O)CC(B1OC(C(O1)(C)C)(C)C)(B1OC(C(O1)(C)C)(C)C)CC1=CC=CC=C1
SPLASH splash10-0w29-0944200000-1852f4d755a93b94dbfd
Source of Spectrum QE-29-SM7-3ja (DOI: 10.1002/chem.202301826)
Wiley ID 1912041