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3-cyclohexyl-1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-one
SpectraBase Compound ID Hk5OS9ajCLe
InChI InChI=1S/C28H44B2O6/c1-24(2)25(3,4)34-29(33-24)28(21-13-11-10-12-14-21,30-35-26(5,6)27(7,8)36-30)19-23(31)20-15-17-22(32-9)18-16-20/h15-18,21H,10-14,19H2,1-9H3
InChIKey NCMQDYCHIVCJBI-UHFFFAOYSA-N
Mol Weight 498.3 g/mol
Molecular Formula C28H44B2O6
Exact Mass 498.332399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yRlh9SfGcF
Name 3-cyclohexyl-1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-one
Appearance Colorless oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.332399471 u
Formula C28H44B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C28H44B2O6/c1-24(2)25(3,4)34-29(33-24)28(21-13-11-10-12-14-21,30-35-26(5,6)27(7,8)36-30)19-23(31)20-15-17-22(32-9)18-16-20/h15-18,21H,10-14,19H2,1-9H3
InChIKey NCMQDYCHIVCJBI-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 498.274 g/mol
Quality 39
Reported Formula C28H44B2O6
SMILES COC1=CC=C(C=C1)C(=O)CC(B1OC(C(O1)(C)C)(C)C)(B1OC(C(O1)(C)C)(C)C)C1CCCCC1
SPLASH splash10-0uyi-4906100000-4e4306d43b454af40852
Source of Spectrum QE-29-SM6-3ha (DOI: 10.1002/chem.202301826)
Wiley ID 1912039