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1-(4-methoxyphenyl)-5-((tetrahydro-2H-pyran-2-yl)oxy)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-one
SpectraBase Compound ID LYQSEhtlW64
InChI InChI=1S/C29H46B2O8/c1-25(2)26(3,4)37-30(36-25)29(17-19-35-24-12-10-11-18-34-24,31-38-27(5,6)28(7,8)39-31)20-23(32)21-13-15-22(33-9)16-14-21/h13-16,24H,10-12,17-20H2,1-9H3
InChIKey DPRQHPUCDNKYJW-UHFFFAOYSA-N
Mol Weight 544.3 g/mol
Molecular Formula C29H46B2O8
Exact Mass 544.337879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUaAd9Gmf1g
Name 1-(4-methoxyphenyl)-5-((tetrahydro-2H-pyran-2-yl)oxy)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-one
Appearance Colorless oil
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.337878773 u
Formula C29H46B2O8
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C29H46B2O8/c1-25(2)26(3,4)37-30(36-25)29(17-19-35-24-12-10-11-18-34-24,31-38-27(5,6)28(7,8)39-31)20-23(32)21-13-15-22(33-9)16-14-21/h13-16,24H,10-12,17-20H2,1-9H3
InChIKey DPRQHPUCDNKYJW-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 544.299 g/mol
Quality 17
Reported Formula C29H46B2O8
SMILES C(OC1OCCCC1)CC(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-0a4r-0967600000-f76efc084565494c4166
Source of Spectrum QE-29-SM6-3ga (DOI: 10.1002/chem.202301826)
Wiley ID 1912038