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1-(4-methoxyphenyl)-4-methyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-one
SpectraBase Compound ID 5FVAcESAPF5
InChI InChI=1S/C25H40B2O6/c1-17(2)25(26-30-21(3,4)22(5,6)31-26,27-32-23(7,8)24(9,10)33-27)16-20(28)18-12-14-19(29-11)15-13-18/h12-15,17H,16H2,1-11H3
InChIKey HILLLWIOVMILQY-UHFFFAOYSA-N
Mol Weight 458.2 g/mol
Molecular Formula C25H40B2O6
Exact Mass 458.301099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50nxz7weJPK
Name 1-(4-methoxyphenyl)-4-methyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-one
Appearance White sticky oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C25H40B2O6/c1-17(2)25(26-30-21(3,4)22(5,6)31-26,27-32-23(7,8)24(9,10)33-27)16-20(28)18-12-14-19(29-11)15-13-18/h12-15,17H,16H2,1-11H3
InChIKey HILLLWIOVMILQY-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 458.209 g/mol
Quality 42
Reported Formula C25H40B2O6
SMILES C(C(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)(C)C
SPLASH splash10-0ue9-4911000000-f5c31e017d25e7378d35
Source of Spectrum QE-29-SM5-3da (DOI: 10.1002/chem.202301826)
Wiley ID 1912035