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4-cyclohexyl-1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
SpectraBase Compound ID henHoTUzwz
InChI InChI=1S/C29H46B2O6/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/h15-18,21H,10-14,19-20H2,1-9H3
InChIKey NIFKSRUKSPPHSU-UHFFFAOYSA-N
Mol Weight 512.3 g/mol
Molecular Formula C29H46B2O6
Exact Mass 512.34805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21kOIYbI
Name 4-cyclohexyl-1-(4-methoxyphenyl)-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.
Exact Mass 512.348049535 u
Formula C29H46B2O6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C29H46B2O6/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/h15-18,21H,10-14,19-20H2,1-9H3
InChIKey NIFKSRUKSPPHSU-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 512.301 g/mol
Quality 44
Reported Formula C29H46B2O6
SMILES COC1=CC=C(C=C1)C(=O)CC(B1OC(C(O1)(C)C)(C)C)(B1OC(C(O1)(C)C)(C)C)CC1CCCCC1
SPLASH splash10-0udi-2910000000-47d4b397296385301860
Source of Spectrum QE-29-SM7-3ia (DOI: 10.1002/chem.202301826)
Wiley ID 1912040