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1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-one
SpectraBase Compound ID 3BUHgRYsI9K
InChI InChI=1S/C28H46B2O6/c1-11-12-13-14-19-28(29-33-24(2,3)25(4,5)34-29,30-35-26(6,7)27(8,9)36-30)20-23(31)21-15-17-22(32-10)18-16-21/h15-18H,11-14,19-20H2,1-10H3
InChIKey CQHOATXIUBRDCB-UHFFFAOYSA-N
Mol Weight 500.3 g/mol
Molecular Formula C28H46B2O6
Exact Mass 500.34805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fe0P87g5es
Name 1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-one
Appearance Colorless oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.348049535 u
Formula C28H46B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C28H46B2O6/c1-11-12-13-14-19-28(29-33-24(2,3)25(4,5)34-29,30-35-26(6,7)27(8,9)36-30)20-23(31)21-15-17-22(32-10)18-16-21/h15-18H,11-14,19-20H2,1-10H3
InChIKey CQHOATXIUBRDCB-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 500.290 g/mol
Quality 12
Reported Formula C28H46B2O6
SMILES C(CCCC(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CC
SPLASH splash10-0udi-0922000000-9fe15f0e72c3811e62f4
Source of Spectrum QE-29-SM5-3ca (DOI: 10.1002/chem.202301826)
Wiley ID 1912034