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1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-1-one
SpectraBase Compound ID JYZVdqbOgK9
InChI InChI=1S/C26H42B2O6/c1-11-12-17-26(27-31-22(2,3)23(4,5)32-27,28-33-24(6,7)25(8,9)34-28)18-21(29)19-13-15-20(30-10)16-14-19/h13-16H,11-12,17-18H2,1-10H3
InChIKey BFXSQAUSSXGKKX-UHFFFAOYSA-N
Mol Weight 472.2 g/mol
Molecular Formula C26H42B2O6
Exact Mass 472.316749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGMjlB60wBU
Name 1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-1-one
Appearance White sticky oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.316749406 u
Formula C26H42B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C26H42B2O6/c1-11-12-17-26(27-31-22(2,3)23(4,5)32-27,28-33-24(6,7)25(8,9)34-28)18-21(29)19-13-15-20(30-10)16-14-19/h13-16H,11-12,17-18H2,1-10H3
InChIKey BFXSQAUSSXGKKX-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 472.236 g/mol
Quality 41
Reported Formula C26H42B2O6
SMILES CCCCC(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-0udi-1910000000-38602d22276844fdef1d
Source of Spectrum QE-29-SM5-3ba (DOI: 10.1002/chem.202301826)
Wiley ID 1912033